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

C17H18ClN3O2 — CID 18107028

IUPAC4-chloro-N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
SMILESCc1cccnc1NC(=O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O2/c1-12-4-2-10-19-16(12)21-15(22)5-3-11-20-17(23)13-6-8-14(18)9-7-13/h2,4,6-10H,3,5,11H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyPMKRDCGFCLUHMD-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.19
Rot. Bonds6

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

4-chloro-N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide (PubChem CID 18107028) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 4-chloro-N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
PubChem CID18107028
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name4-chloro-N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
SMILESCc1cccnc1NC(=O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O2/c1-12-4-2-10-19-16(12)21-15(22)5-3-11-20-17(23)13-6-8-14(18)9-7-13/h2,4,6-10H,3,5,11H2,1H3,(H,20,23)(H,19,21,22)
InChIKeyPMKRDCGFCLUHMD-UHFFFAOYSA-N
XLogP3.19
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide
CID 35032384
2-chloro-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]benzamide
CID 18129652
5-bromo-N-(3-methyl-2-pyridinyl)pentanamide
CID 107907296
5-[(3-methyl-2-pyridinyl)amino]-5-oxopentanoate
CID 5059391
1-tert-butyl-1-[(4-chlorobenzoyl)amino]-3-(3-methyl-2-pyridinyl)urea
CID 140969444
4-methyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1H-pyrrole-3-carboxamide
CID 126828105
4-chloro-N-[3-oxo-3-(quinolin-5-ylamino)propyl]benzamide
CID 26888649
4-[(3-methyl-2-pyridinyl)amino]-4-oxobutanoic acid
CID 810222
(2,6-dimethylphenyl) 4-[(4-chlorobenzoyl)amino]butanoate
CID 2493229
4-chloro-N-[4-oxo-4-(3-quinolin-8-yloxypropylamino)butyl]benzamide
CID 56535280
4-chloro-N-[4-(2,5-dichloroanilino)-4-oxobutyl]benzamide
CID 9439469
2,5-dimethyl-N-[3-[(3-methyl-2-pyridinyl)amino]-3-oxopropyl]-1,3-oxazole-4-carboxamide
CID 126828106

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide (CID 18107028) is 4-chloro-N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide is Cc1cccnc1NC(=O)CCCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide?
The InChIKey is PMKRDCGFCLUHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-12-4-2-10-19-16(12)21-15(22)5-3-11-20-17(23)13-6-8-14(18)9-7-13/h2,4,6-10H,3,5,11H2,1H3,(H,20,23)(H,19,21,22).
What are the key properties of 4-chloro-N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide?
4-chloro-N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide has a molecular weight of 331.80 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(3-methyl-2-pyridinyl)amino]-4-oxobutyl]benzamide is sourced from PubChem (CID 18107028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).