2-(6-benzamido-3-pyridinyl)propanoic acid;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;N-[5-[5-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-3-oxopentan-2-yl]-2-pyridinyl]benzamide;2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;N-[5-(3-oxobutan-2-yl)-2-pyridinyl]benzamide

C99H103Cl5N14O11 — CID 162153140

About 2-(6-benzamido-3-pyridinyl)propanoic acid;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;N-[5-[5-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-3-oxopentan-2-yl]-2-pyridinyl]benzamide;2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;N-[5-(3-oxobutan-2-yl)-2-pyridinyl]benzamide

2-(6-benzamido-3-pyridinyl)propanoic acid;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;N-[5-[5-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-3-oxopentan-2-yl]-2-pyridinyl]benzamide;2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;N-[5-(3-oxobutan-2-yl)-2-pyridinyl]benzamide (PubChem CID 162153140) has the molecular formula C99H103Cl5N14O11 and a molecular weight of 1842.26 g/mol. Its IUPAC name is 2-(6-benzamido-3-pyridinyl)propanoic acid;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;N-[5-[5-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-3-oxopentan-2-yl]-2-pyridinyl]benzamide;2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;N-[5-(3-oxobutan-2-yl)-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 2-(6-benzamido-3-pyridinyl)propanoic acid;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;N-[5-[5-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-3-oxopentan-2-yl]-2-pyridinyl]benzamide;2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;N-[5-(3-oxobutan-2-yl)-2-pyridinyl]benzamide
• PubChem CID: 162153140
• Molecular Formula: C99H103Cl5N14O11
• Molecular Weight: 1842.26 g/mol
• Exact Mass: 1838.64
• IUPAC Name: 2-(6-benzamido-3-pyridinyl)propanoic acid;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;N-[5-[5-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-3-oxopentan-2-yl]-2-pyridinyl]benzamide;2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;N-[5-(3-oxobutan-2-yl)-2-pyridinyl]benzamide
• SMILES: CC(=O)C(C)c1ccc(Cl)nc1.CC(=O)C(C)c1ccc(NC(=O)c2ccccc2)nc1.CC(=O)Cc1ccc(Cl)nc1.CC(C(=O)CCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(NC(=O)c2ccccc2)nc1.CC(C(=O)O)c1ccc(NC(=O)c2ccccc2)nc1.CC(C)(C)c1cc(CN)n(-c2cccc(Cl)c2)n1.O=C(O)Cc1ccc(Cl)nc1
• InChI: InChI=1S/C30H31ClN4O2.C16H16N2O2.C15H14N2O3.C14H18ClN3.C9H10ClNO.C8H8ClNO.C7H6ClNO2/c1-20(22-13-16-28(32-19-22)33-29(37)21-9-6-5-7-10-21)26(36)15-14-25-18-27(30(2,3)4)34-35(25)24-12-8-11-23(31)17-24;1-11(12(2)19)14-8-9-15(17-10-14)18-16(20)13-6-4-3-5-7-13;1-10(15(19)20)12-7-8-13(16-9-12)17-14(18)11-5-3-2-4-6-11;1-14(2,3)13-8-12(9-16)18(17-13)11-6-4-5-10(15)7-11;1-6(7(2)12)8-3-4-9(10)11-5-8;1-6(11)4-7-2-3-8(9)10-5-7;8-6-2-1-5(4-9-6)3-7(10)11/h5-13,16-20H,14-15H2,1-4H3,(H,32,33,37);3-11H,1-2H3,(H,17,18,20);2-10H,1H3,(H,19,20)(H,16,17,18);4-8H,9,16H2,1-3H3;3-6H,1-2H3;2-3,5H,4H2,1H3;1-2,4H,3H2,(H,10,11)
• InChIKey: ZLMAIKGJKXEIOH-UHFFFAOYSA-N
• XLogP: 21.26
• TPSA: 369.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1842.26
LogP ≤ 5	21.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6-benzamido-3-pyridinyl)propanoic acid;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;N-[5-[5-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-3-oxopentan-2-yl]-2-pyridinyl]benzamide;2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;N-[5-(3-oxobutan-2-yl)-2-pyridinyl]benzamide?

The IUPAC name of 2-(6-benzamido-3-pyridinyl)propanoic acid;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;N-[5-[5-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-3-oxopentan-2-yl]-2-pyridinyl]benzamide;2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;N-[5-(3-oxobutan-2-yl)-2-pyridinyl]benzamide (CID 162153140) is 2-(6-benzamido-3-pyridinyl)propanoic acid;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;N-[5-[5-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-3-oxopentan-2-yl]-2-pyridinyl]benzamide;2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;N-[5-(3-oxobutan-2-yl)-2-pyridinyl]benzamide.

What is the SMILES notation for 2-(6-benzamido-3-pyridinyl)propanoic acid;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;N-[5-[5-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-3-oxopentan-2-yl]-2-pyridinyl]benzamide;2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;N-[5-(3-oxobutan-2-yl)-2-pyridinyl]benzamide?

The canonical SMILES for 2-(6-benzamido-3-pyridinyl)propanoic acid;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;N-[5-[5-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-3-oxopentan-2-yl]-2-pyridinyl]benzamide;2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;N-[5-(3-oxobutan-2-yl)-2-pyridinyl]benzamide is CC(=O)C(C)c1ccc(Cl)nc1.CC(=O)C(C)c1ccc(NC(=O)c2ccccc2)nc1.CC(=O)Cc1ccc(Cl)nc1.CC(C(=O)CCc1cc(C(C)(C)C)nn1-c1cccc(Cl)c1)c1ccc(NC(=O)c2ccccc2)nc1.CC(C(=O)O)c1ccc(NC(=O)c2ccccc2)nc1.CC(C)(C)c1cc(CN)n(-c2cccc(Cl)c2)n1.O=C(O)Cc1ccc(Cl)nc1.

What is the InChIKey of 2-(6-benzamido-3-pyridinyl)propanoic acid;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;N-[5-[5-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-3-oxopentan-2-yl]-2-pyridinyl]benzamide;2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;N-[5-(3-oxobutan-2-yl)-2-pyridinyl]benzamide?

The InChIKey is ZLMAIKGJKXEIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN4O2.C16H16N2O2.C15H14N2O3.C14H18ClN3.C9H10ClNO.C8H8ClNO.C7H6ClNO2/c1-20(22-13-16-28(32-19-22)33-29(37)21-9-6-5-7-10-21)26(36)15-14-25-18-27(30(2,3)4)34-35(25)24-12-8-11-23(31)17-24;1-11(12(2)19)14-8-9-15(17-10-14)18-16(20)13-6-4-3-5-7-13;1-10(15(19)20)12-7-8-13(16-9-12)17-14(18)11-5-3-2-4-6-11;1-14(2,3)13-8-12(9-16)18(17-13)11-6-4-5-10(15)7-11;1-6(7(2)12)8-3-4-9(10)11-5-8;1-6(11)4-7-2-3-8(9)10-5-7;8-6-2-1-5(4-9-6)3-7(10)11/h5-13,16-20H,14-15H2,1-4H3,(H,32,33,37);3-11H,1-2H3,(H,17,18,20);2-10H,1H3,(H,19,20)(H,16,17,18);4-8H,9,16H2,1-3H3;3-6H,1-2H3;2-3,5H,4H2,1H3;1-2,4H,3H2,(H,10,11).

What are the key properties of 2-(6-benzamido-3-pyridinyl)propanoic acid;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;N-[5-[5-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-3-oxopentan-2-yl]-2-pyridinyl]benzamide;2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;N-[5-(3-oxobutan-2-yl)-2-pyridinyl]benzamide?

2-(6-benzamido-3-pyridinyl)propanoic acid;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;N-[5-[5-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-3-oxopentan-2-yl]-2-pyridinyl]benzamide;2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;N-[5-(3-oxobutan-2-yl)-2-pyridinyl]benzamide has a molecular weight of 1842.26 g/mol, XLogP of 21.26, 24 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-benzamido-3-pyridinyl)propanoic acid;[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methanamine;N-[5-[5-[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]-3-oxopentan-2-yl]-2-pyridinyl]benzamide;2-(6-chloro-3-pyridinyl)acetic acid;3-(6-chloro-3-pyridinyl)butan-2-one;1-(6-chloro-3-pyridinyl)propan-2-one;N-[5-(3-oxobutan-2-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 162153140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).