4-chloro-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide

C14H16ClN5O — CID 119072365

IUPAC4-chloro-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCN(c2cnccn2)CC1)c1cc(Cl)c[nH]1
InChIInChI=1S/C14H16ClN5O/c15-10-7-12(18-8-10)14(21)19-11-1-5-20(6-2-11)13-9-16-3-4-17-13/h3-4,7-9,11,18H,1-2,5-6H2,(H,19,21)
InChIKeyOHOQQADEPRDSGI-UHFFFAOYSA-N
MW305.77 g/mol
LogP1.86
Rot. Bonds3

About 4-chloro-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide

4-chloro-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 119072365) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 4-chloro-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID119072365
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name4-chloro-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(NC1CCN(c2cnccn2)CC1)c1cc(Cl)c[nH]1
InChIInChI=1S/C14H16ClN5O/c15-10-7-12(18-8-10)14(21)19-11-1-5-20(6-2-11)13-9-16-3-4-17-13/h3-4,7-9,11,18H,1-2,5-6H2,(H,19,21)
InChIKeyOHOQQADEPRDSGI-UHFFFAOYSA-N
XLogP1.86
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrazine-3-carboxamide
CID 118792476
N-(1-pyrazin-2-ylpiperidin-4-yl)thiophene-3-carboxamide
CID 133273014
4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 18121095
N-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 172900971
N-(azepan-4-yl)-4-chloro-1H-pyrrole-2-carboxamide
CID 105060146
3-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176501776
N-[1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-4-yl]benzamide
CID 38795279
1-pyrazin-2-yl-N-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 23609685
3-phenoxy-N-(1-pyrazin-2-ylpiperidin-4-yl)propanamide
CID 118780415
(4R)-2,7-dioxo-N-(1-pyrazin-2-ylpiperidin-4-yl)-1,3-diazepane-4-carboxamide
CID 125155070
3-chloro-5-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]benzoic acid
CID 126794812
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-1H-pyrrole-2-carboxamide;hydrochloride
CID 119455226

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide (CID 119072365) is 4-chloro-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide is O=C(NC1CCN(c2cnccn2)CC1)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is OHOQQADEPRDSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c15-10-7-12(18-8-10)14(21)19-11-1-5-20(6-2-11)13-9-16-3-4-17-13/h3-4,7-9,11,18H,1-2,5-6H2,(H,19,21).
What are the key properties of 4-chloro-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide?
4-chloro-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-pyrazin-2-ylpiperidin-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 119072365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).