4-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-2-carboxamide

C15H15ClN4O — CID 32951968

IUPAC4-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cn1)c1cc(Cl)ccn1
InChIInChI=1S/C15H15ClN4O/c16-11-5-6-17-13(9-11)15(21)19-14-4-3-12(10-18-14)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8H2,(H,18,19,21)
InChIKeyXFXSFWLMINCGBM-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.98
Rot. Bonds3

About 4-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-2-carboxamide

4-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-2-carboxamide (PubChem CID 32951968) has the molecular formula C15H15ClN4O and a molecular weight of 302.76 g/mol. Its IUPAC name is 4-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-2-carboxamide
PubChem CID32951968
Molecular FormulaC15H15ClN4O
Molecular Weight302.76 g/mol
Exact Mass302.09
IUPAC Name4-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cn1)c1cc(Cl)ccn1
InChIInChI=1S/C15H15ClN4O/c16-11-5-6-17-13(9-11)15(21)19-14-4-3-12(10-18-14)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8H2,(H,18,19,21)
InChIKeyXFXSFWLMINCGBM-UHFFFAOYSA-N
XLogP2.98
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-2-carboxamide (CID 32951968) is 4-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-2-carboxamide is O=C(Nc1ccc(N2CCCC2)cn1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-2-carboxamide?
The InChIKey is XFXSFWLMINCGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c16-11-5-6-17-13(9-11)15(21)19-14-4-3-12(10-18-14)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8H2,(H,18,19,21).
What are the key properties of 4-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-2-carboxamide?
4-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-2-carboxamide has a molecular weight of 302.76 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 32951968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).