4-bromo-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide

C16H16BrN3O2 — CID 18106983

IUPAC4-bromo-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
SMILESCc1cccnc1NC(=O)CCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrN3O2/c1-11-3-2-9-18-15(11)20-14(21)8-10-19-16(22)12-4-6-13(17)7-5-12/h2-7,9H,8,10H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyVHPYYCIOOBWFKF-UHFFFAOYSA-N
MW362.23 g/mol
LogP2.91
Rot. Bonds5

About 4-bromo-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide

4-bromo-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide (PubChem CID 18106983) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 4-bromo-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
PubChem CID18106983
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name4-bromo-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
SMILESCc1cccnc1NC(=O)CCNC(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrN3O2/c1-11-3-2-9-18-15(11)20-14(21)8-10-19-16(22)12-4-6-13(17)7-5-12/h2-7,9H,8,10H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyVHPYYCIOOBWFKF-UHFFFAOYSA-N
XLogP2.91
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-bromo-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide (CID 18106983) is 4-bromo-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide is Cc1cccnc1NC(=O)CCNC(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide?
The InChIKey is VHPYYCIOOBWFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-11-3-2-9-18-15(11)20-14(21)8-10-19-16(22)12-4-6-13(17)7-5-12/h2-7,9H,8,10H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of 4-bromo-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide?
4-bromo-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide has a molecular weight of 362.23 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 18106983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).