N-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide

C17H18ClN3O2 — CID 6498652

IUPACN-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCNC(=O)c2cccc(Cl)c2)cn1
InChIInChI=1S/C17H18ClN3O2/c1-12-6-7-14(11-21-12)17(23)20-9-3-8-19-16(22)13-4-2-5-15(18)10-13/h2,4-7,10-11H,3,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyOGJCVTRCPLAMKQ-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.59
Rot. Bonds6

About N-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide

N-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide (PubChem CID 6498652) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide
PubChem CID6498652
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCCNC(=O)c2cccc(Cl)c2)cn1
InChIInChI=1S/C17H18ClN3O2/c1-12-6-7-14(11-21-12)17(23)20-9-3-8-19-16(22)13-4-2-5-15(18)10-13/h2,4-7,10-11H,3,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyOGJCVTRCPLAMKQ-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
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

6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
N-(3-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 43417610
6-methyl-N-[2-[(3-nitrobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 8990926
3-chloro-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]benzamide
CID 90579289
N-[3-(butanoylamino)propyl]-6-methylpyridine-3-carboxamide
CID 6498671
N-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-methylpyridine-3-carboxamide
CID 71931147
N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]-6-methylpyridine-3-carboxamide
CID 8990920
6-methyl-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 62657976
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
tert-butyl N-[4-[(3-chlorobenzoyl)amino]butyl]carbamate
CID 139824741
methyl 6-[(3-chlorobenzoyl)amino]hexanoate
CID 43404554
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide (CID 6498652) is N-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCCCNC(=O)c2cccc(Cl)c2)cn1.
What is the InChIKey of N-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide?
The InChIKey is OGJCVTRCPLAMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-12-6-7-14(11-21-12)17(23)20-9-3-8-19-16(22)13-4-2-5-15(18)10-13/h2,4-7,10-11H,3,8-9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide?
N-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-chlorobenzoyl)amino]propyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 6498652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).