3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide

C16H16ClN3O — CID 66483334

IUPAC3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1ccncc1Cl
InChIInChI=1S/C16H16ClN3O/c17-15-11-18-8-7-14(15)16(21)19-12-3-5-13(6-4-12)20-9-1-2-10-20/h3-8,11H,1-2,9-10H2,(H,19,21)
InChIKeyQPQUZRNTDZNICZ-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.59
Rot. Bonds3

About 3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide

3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide (PubChem CID 66483334) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
PubChem CID66483334
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1ccncc1Cl
InChIInChI=1S/C16H16ClN3O/c17-15-11-18-8-7-14(15)16(21)19-12-3-5-13(6-4-12)20-9-1-2-10-20/h3-8,11H,1-2,9-10H2,(H,19,21)
InChIKeyQPQUZRNTDZNICZ-UHFFFAOYSA-N
XLogP3.59
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 66462445
4-amino-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 110862209
3-chloro-N-(4-pyrazol-1-ylphenyl)pyridine-4-carboxamide
CID 66483325
3-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]pyridine-4-carboxamide
CID 106913068
3,4-dichloro-N-(4-piperidin-1-ylphenyl)benzamide
CID 807268
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea
CID 110706498
3-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
CID 66484493
2-[4-[(3-chloropyridine-4-carbonyl)amino]phenyl]-2-methylpropanoic acid
CID 138041122
N-(4-pyrrolidin-1-ylphenyl)pyridazine-3-carboxamide
CID 110862074
3-chloro-N-(1,2,3,4-tetrahydroquinolin-7-yl)pyridine-4-carboxamide
CID 66482233

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide (CID 66483334) is 3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
The InChIKey is QPQUZRNTDZNICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-15-11-18-8-7-14(15)16(21)19-12-3-5-13(6-4-12)20-9-1-2-10-20/h3-8,11H,1-2,9-10H2,(H,19,21).
What are the key properties of 3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide?
3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide has a molecular weight of 301.78 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 66483334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).