N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide

C17H18ClN3O — CID 109225802

IUPACN-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cncc(N2CCCC2)c1
InChIInChI=1S/C17H18ClN3O/c1-12-8-14(18)4-5-16(12)20-17(22)13-9-15(11-19-10-13)21-6-2-3-7-21/h4-5,8-11H,2-3,6-7H2,1H3,(H,20,22)
InChIKeyVQGMRQFBIKVPSV-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.90
Rot. Bonds3

About N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide

N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 109225802) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID109225802
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC NameN-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cncc(N2CCCC2)c1
InChIInChI=1S/C17H18ClN3O/c1-12-8-14(18)4-5-16(12)20-17(22)13-9-15(11-19-10-13)21-6-2-3-7-21/h4-5,8-11H,2-3,6-7H2,1H3,(H,20,22)
InChIKeyVQGMRQFBIKVPSV-UHFFFAOYSA-N
XLogP3.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227287
N-(2,5-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225862
N-(3-chloro-4-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225803
N-(3-chlorophenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226552
N-(3-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225773
3-N-(4-chloro-2-methylphenyl)-5-N-cyclohexylpyridine-3,5-dicarboxamide
CID 109103094
N-(4-acetamidophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225827
N-(2-methylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228626
N-(4-acetamidophenyl)-5-(azepan-1-yl)pyridine-3-carboxamide
CID 109241376
N-(2-methoxy-5-methylphenyl)-5-piperidin-1-ylpyridine-3-carboxamide
CID 109226569
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide (CID 109225802) is N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1cncc(N2CCCC2)c1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is VQGMRQFBIKVPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-12-8-14(18)4-5-16(12)20-17(22)13-9-15(11-19-10-13)21-6-2-3-7-21/h4-5,8-11H,2-3,6-7H2,1H3,(H,20,22).
What are the key properties of N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 315.80 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 109225802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).