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

C16H16ClN3O2 — CID 18106966

IUPAC4-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
SMILESCc1cccnc1NC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O2/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)
InChIKeyOZMLTPQITBIHRP-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.80
Rot. Bonds5

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

4-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide (PubChem CID 18106966) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 4-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
PubChem CID18106966
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name4-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
SMILESCc1cccnc1NC(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O2/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)
InChIKeyOZMLTPQITBIHRP-UHFFFAOYSA-N
XLogP2.80
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide (CID 18106966) is 4-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide is Cc1cccnc1NC(=O)CCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide?
The InChIKey is OZMLTPQITBIHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/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-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide?
4-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide has a molecular weight of 317.78 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 18106966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).