N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxylic acid;methane

C45H48Cl2N12O3 — CID 161380802

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxylic acid;methane

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxylic acid;methane (PubChem CID 161380802) has the molecular formula C45H48Cl2N12O3 and a molecular weight of 875.87 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxylic acid;methane.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxylic acid;methane
• PubChem CID: 161380802
• Molecular Formula: C45H48Cl2N12O3
• Molecular Weight: 875.87 g/mol
• Exact Mass: 874.33
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxylic acid;methane
• SMILES: C.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc3cc(Cl)cn3cn2)c1.O=C(O)c1ccnc(Cc2cc3cc(Cl)cn3cn2)c1
• InChI: InChI=1S/C22H21ClN6O.C14H10ClN3O2.C8H13N3.CH4/c1-13-5-21(24)28-14(2)20(13)10-26-22(30)15-3-4-25-17(6-15)8-18-9-19-7-16(23)11-29(19)12-27-18;15-10-4-13-6-12(17-8-18(13)7-10)5-11-3-9(14(19)20)1-2-16-11;1-5-3-8(10)11-6(2)7(5)4-9;/h3-7,9,11-12H,8,10H2,1-2H3,(H2,24,28)(H,26,30);1-4,6-8H,5H2,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11);1H4
• InChIKey: VRRSKLZSYQSBBG-UHFFFAOYSA-N
• XLogP: 7.54
• TPSA: 230.62 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	875.87
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxylic acid;methane?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxylic acid;methane (CID 161380802) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxylic acid;methane.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxylic acid;methane?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxylic acid;methane is C.Cc1cc(N)nc(C)c1CN.Cc1cc(N)nc(C)c1CNC(=O)c1ccnc(Cc2cc3cc(Cl)cn3cn2)c1.O=C(O)c1ccnc(Cc2cc3cc(Cl)cn3cn2)c1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxylic acid;methane?

The InChIKey is VRRSKLZSYQSBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O.C14H10ClN3O2.C8H13N3.CH4/c1-13-5-21(24)28-14(2)20(13)10-26-22(30)15-3-4-25-17(6-15)8-18-9-19-7-16(23)11-29(19)12-27-18;15-10-4-13-6-12(17-8-18(13)7-10)5-11-3-9(14(19)20)1-2-16-11;1-5-3-8(10)11-6(2)7(5)4-9;/h3-7,9,11-12H,8,10H2,1-2H3,(H2,24,28)(H,26,30);1-4,6-8H,5H2,(H,19,20);3H,4,9H2,1-2H3,(H2,10,11);1H4.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxylic acid;methane?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxylic acid;methane has a molecular weight of 875.87 g/mol, XLogP of 7.54, 9 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxamide;5-(aminomethyl)-4,6-dimethylpyridin-2-amine;2-[(6-chloropyrrolo[1,2-c]pyrimidin-3-yl)methyl]pyridine-4-carboxylic acid;methane is sourced from PubChem (CID 161380802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).