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

C16H16ClN3O2 — CID 18129652

IUPAC2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
SMILESCc1cccnc1NC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C16H16ClN3O2/c1-11-5-4-9-18-15(11)20-14(21)8-10-19-16(22)12-6-2-3-7-13(12)17/h2-7,9H,8,10H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyWPFXTYAEVMSPFC-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.80
Rot. Bonds5

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

2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide (PubChem CID 18129652) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
PubChem CID18129652
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
SMILESCc1cccnc1NC(=O)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C16H16ClN3O2/c1-11-5-4-9-18-15(11)20-14(21)8-10-19-16(22)12-6-2-3-7-13(12)17/h2-7,9H,8,10H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyWPFXTYAEVMSPFC-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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Related Compounds

2-methoxy-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 24685535
4-methyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1H-pyrrole-3-carboxamide
CID 126828105
N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
CID 35032384
4-chloro-N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
CID 18107028
2,5-dimethyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1,3-oxazole-4-carboxamide
CID 126828106
2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide
CID 9104877
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 7915102
2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide
CID 7962908
4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
CID 810222
2-(3-acetamidopropanoylamino)pyridine-3-carboxylic acid
CID 63652524
2-amino-3-chloro-N-(3-methyl-2-pyridinyl)benzamide
CID 115539994
3-(2-fluorophenyl)-N-(3-methyl-2-pyridinyl)propanamide
CID 25342955

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide (CID 18129652) is 2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide is Cc1cccnc1NC(=O)CCNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide?
The InChIKey is WPFXTYAEVMSPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-11-5-4-9-18-15(11)20-14(21)8-10-19-16(22)12-6-2-3-7-13(12)17/h2-7,9H,8,10H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of 2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide?
2-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 2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 18129652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).