N-(3-chlorophenyl)-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide

C21H21ClN4O — CID 46375111

IUPACN-(3-chlorophenyl)-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCN(c2ccc(-n3cccc3)cn2)CC1
InChIInChI=1S/C21H21ClN4O/c22-17-4-3-5-18(14-17)24-21(27)16-8-12-26(13-9-16)20-7-6-19(15-23-20)25-10-1-2-11-25/h1-7,10-11,14-16H,8-9,12-13H2,(H,24,27)
InChIKeyGHISOMGNGRJBGU-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.38
Rot. Bonds4

About N-(3-chlorophenyl)-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide

N-(3-chlorophenyl)-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 46375111) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID46375111
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-(3-chlorophenyl)-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCN(c2ccc(-n3cccc3)cn2)CC1
InChIInChI=1S/C21H21ClN4O/c22-17-4-3-5-18(14-17)24-21(27)16-8-12-26(13-9-16)20-7-6-19(15-23-20)25-10-1-2-11-25/h1-7,10-11,14-16H,8-9,12-13H2,(H,24,27)
InChIKeyGHISOMGNGRJBGU-UHFFFAOYSA-N
XLogP4.38
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53170437
1-(5-chloro-2-pyridinyl)-N-(4-chloro-2-pyrrol-1-ylphenyl)piperidine-4-carboxamide
CID 56582300
N-(3-chlorophenyl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062148
1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71935267
N-(3-chlorophenyl)-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 20947206
N-[3-(hydroxymethyl)phenyl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 110910842
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55687537
1-(5-cyano-2-pyridinyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 16588046
1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 16588037
N-(3-bromophenyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 16588035
N-(2-chlorophenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38952409
methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754183

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide (CID 46375111) is N-(3-chlorophenyl)-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide is O=C(Nc1cccc(Cl)c1)C1CCN(c2ccc(-n3cccc3)cn2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is GHISOMGNGRJBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c22-17-4-3-5-18(14-17)24-21(27)16-8-12-26(13-9-16)20-7-6-19(15-23-20)25-10-1-2-11-25/h1-7,10-11,14-16H,8-9,12-13H2,(H,24,27).
What are the key properties of N-(3-chlorophenyl)-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide?
N-(3-chlorophenyl)-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 46375111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).