2-chloro-N-[3-[(6-methoxy-3-pyridinyl)amino]-3-oxopropyl]benzamide

C16H16ClN3O3 — CID 40599620

IUPAC2-chloro-N-[3-[(6-methoxy-3-pyridinyl)amino]-3-oxopropyl]benzamide
SMILESCOc1ccc(NC(=O)CCNC(=O)c2ccccc2Cl)cn1
InChIInChI=1S/C16H16ClN3O3/c1-23-15-7-6-11(10-19-15)20-14(21)8-9-18-16(22)12-4-2-3-5-13(12)17/h2-7,10H,8-9H2,1H3,(H,18,22)(H,20,21)
InChIKeyBYVHTKWMNXQQFE-UHFFFAOYSA-N
MW333.78 g/mol
LogP2.50
Rot. Bonds6

About 2-chloro-N-[3-[(6-methoxy-3-pyridinyl)amino]-3-oxopropyl]benzamide

2-chloro-N-[3-[(6-methoxy-3-pyridinyl)amino]-3-oxopropyl]benzamide (PubChem CID 40599620) has the molecular formula C16H16ClN3O3 and a molecular weight of 333.78 g/mol. Its IUPAC name is 2-chloro-N-[3-[(6-methoxy-3-pyridinyl)amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(6-methoxy-3-pyridinyl)amino]-3-oxopropyl]benzamide
PubChem CID40599620
Molecular FormulaC16H16ClN3O3
Molecular Weight333.78 g/mol
Exact Mass333.09
IUPAC Name2-chloro-N-[3-[(6-methoxy-3-pyridinyl)amino]-3-oxopropyl]benzamide
SMILESCOc1ccc(NC(=O)CCNC(=O)c2ccccc2Cl)cn1
InChIInChI=1S/C16H16ClN3O3/c1-23-15-7-6-11(10-19-15)20-14(21)8-9-18-16(22)12-4-2-3-5-13(12)17/h2-7,10H,8-9H2,1H3,(H,18,22)(H,20,21)
InChIKeyBYVHTKWMNXQQFE-UHFFFAOYSA-N
XLogP2.50
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(6-methoxy-3-pyridinyl)propanamide
CID 47096905
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
2-chloro-N-[3-(3-fluoro-4-methylanilino)-3-oxopropyl]benzamide
CID 7962908
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794
3-(2,5-dimethylpyrrol-1-yl)-N-(6-methoxy-3-pyridinyl)propanamide
CID 110204854
2-chloro-N-[3-[2-(4-methoxyphenoxy)ethylamino]-3-oxopropyl]benzamide
CID 8935033
2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 18129652
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methoxybenzamide
CID 40718510
2-(2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
CID 2677021
1-(2-hydroxyethyl)-3-(6-methoxy-3-pyridinyl)urea
CID 47237458
3-(3,4-dichlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)propanamide
CID 110620787
2-chloro-N-[3-(3-chloro-2-methylanilino)-3-oxopropyl]benzamide
CID 7915102

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(6-methoxy-3-pyridinyl)amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[(6-methoxy-3-pyridinyl)amino]-3-oxopropyl]benzamide (CID 40599620) is 2-chloro-N-[3-[(6-methoxy-3-pyridinyl)amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[(6-methoxy-3-pyridinyl)amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[(6-methoxy-3-pyridinyl)amino]-3-oxopropyl]benzamide is COc1ccc(NC(=O)CCNC(=O)c2ccccc2Cl)cn1.
What is the InChIKey of 2-chloro-N-[3-[(6-methoxy-3-pyridinyl)amino]-3-oxopropyl]benzamide?
The InChIKey is BYVHTKWMNXQQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O3/c1-23-15-7-6-11(10-19-15)20-14(21)8-9-18-16(22)12-4-2-3-5-13(12)17/h2-7,10H,8-9H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 2-chloro-N-[3-[(6-methoxy-3-pyridinyl)amino]-3-oxopropyl]benzamide?
2-chloro-N-[3-[(6-methoxy-3-pyridinyl)amino]-3-oxopropyl]benzamide has a molecular weight of 333.78 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(6-methoxy-3-pyridinyl)amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 40599620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).