N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-4-carboxamide

C21H25ClN4O — CID 46879347

IUPACN-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccnc(N2CCC(N3CCCC3)CC2)c1
InChIInChI=1S/C21H25ClN4O/c22-17-4-3-5-18(15-17)24-21(27)16-6-9-23-20(14-16)26-12-7-19(8-13-26)25-10-1-2-11-25/h3-6,9,14-15,19H,1-2,7-8,10-13H2,(H,24,27)
InChIKeySBLDKEVWOLSNSY-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.05
Rot. Bonds4

About N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-4-carboxamide

N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-4-carboxamide (PubChem CID 46879347) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-4-carboxamide
PubChem CID46879347
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC NameN-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccnc(N2CCC(N3CCCC3)CC2)c1
InChIInChI=1S/C21H25ClN4O/c22-17-4-3-5-18(15-17)24-21(27)16-6-9-23-20(14-16)26-12-7-19(8-13-26)25-10-1-2-11-25/h3-6,9,14-15,19H,1-2,7-8,10-13H2,(H,24,27)
InChIKeySBLDKEVWOLSNSY-UHFFFAOYSA-N
XLogP4.05
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-4-carboxamide (CID 46879347) is N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-4-carboxamide is O=C(Nc1cccc(Cl)c1)c1ccnc(N2CCC(N3CCCC3)CC2)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-4-carboxamide?
The InChIKey is SBLDKEVWOLSNSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O/c22-17-4-3-5-18(15-17)24-21(27)16-6-9-23-20(14-16)26-12-7-19(8-13-26)25-10-1-2-11-25/h3-6,9,14-15,19H,1-2,7-8,10-13H2,(H,24,27).
What are the key properties of N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-4-carboxamide?
N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-4-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 46879347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).