1-(5-chloro-2-pyridinyl)-N-(4-chloro-2-pyrrol-1-ylphenyl)piperidine-4-carboxamide

C21H20Cl2N4O — CID 56582300

IUPAC1-(5-chloro-2-pyridinyl)-N-(4-chloro-2-pyrrol-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1-n1cccc1)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C21H20Cl2N4O/c22-16-3-5-18(19(13-16)26-9-1-2-10-26)25-21(28)15-7-11-27(12-8-15)20-6-4-17(23)14-24-20/h1-6,9-10,13-15H,7-8,11-12H2,(H,25,28)
InChIKeyQRGGBHMHPFSCTD-UHFFFAOYSA-N
MW415.32 g/mol
LogP5.03
Rot. Bonds4

About 1-(5-chloro-2-pyridinyl)-N-(4-chloro-2-pyrrol-1-ylphenyl)piperidine-4-carboxamide

1-(5-chloro-2-pyridinyl)-N-(4-chloro-2-pyrrol-1-ylphenyl)piperidine-4-carboxamide (PubChem CID 56582300) has the molecular formula C21H20Cl2N4O and a molecular weight of 415.32 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-N-(4-chloro-2-pyrrol-1-ylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-N-(4-chloro-2-pyrrol-1-ylphenyl)piperidine-4-carboxamide
PubChem CID56582300
Molecular FormulaC21H20Cl2N4O
Molecular Weight415.32 g/mol
Exact Mass414.10
IUPAC Name1-(5-chloro-2-pyridinyl)-N-(4-chloro-2-pyrrol-1-ylphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1-n1cccc1)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C21H20Cl2N4O/c22-16-3-5-18(19(13-16)26-9-1-2-10-26)25-21(28)15-7-11-27(12-8-15)20-6-4-17(23)14-24-20/h1-6,9-10,13-15H,7-8,11-12H2,(H,25,28)
InChIKeyQRGGBHMHPFSCTD-UHFFFAOYSA-N
XLogP5.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.32
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38952409
N-(3-chlorophenyl)-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide
CID 46375111
1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71935267
1-(5-chloro-2-pyridinyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 38956071
1-(5-chloro-2-pyridinyl)-N-(2-methyl-4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 55887177
1-(5-chloro-2-pyridinyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 55687937
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
1-[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 39466788
methyl 3-[[1-(5-chloro-2-pyridinyl)piperidine-4-carbonyl]amino]thiophene-2-carboxylate
CID 38967933
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993
1-(5-chloro-2-pyridinyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 55687112
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38983045

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-N-(4-chloro-2-pyrrol-1-ylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-N-(4-chloro-2-pyrrol-1-ylphenyl)piperidine-4-carboxamide (CID 56582300) is 1-(5-chloro-2-pyridinyl)-N-(4-chloro-2-pyrrol-1-ylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-N-(4-chloro-2-pyrrol-1-ylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-N-(4-chloro-2-pyrrol-1-ylphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(Cl)cc1-n1cccc1)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-N-(4-chloro-2-pyrrol-1-ylphenyl)piperidine-4-carboxamide?
The InChIKey is QRGGBHMHPFSCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O/c22-16-3-5-18(19(13-16)26-9-1-2-10-26)25-21(28)15-7-11-27(12-8-15)20-6-4-17(23)14-24-20/h1-6,9-10,13-15H,7-8,11-12H2,(H,25,28).
What are the key properties of 1-(5-chloro-2-pyridinyl)-N-(4-chloro-2-pyrrol-1-ylphenyl)piperidine-4-carboxamide?
1-(5-chloro-2-pyridinyl)-N-(4-chloro-2-pyrrol-1-ylphenyl)piperidine-4-carboxamide has a molecular weight of 415.32 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-N-(4-chloro-2-pyrrol-1-ylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 56582300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).