1-chloro-5-methyl-N-[1-(1-methyl-5-nitroimidazol-2-yl)piperidin-4-yl]pyrrole-2-carboxamide

C15H19ClN6O3 — CID 174498384

IUPAC1-chloro-5-methyl-N-[1-(1-methyl-5-nitroimidazol-2-yl)piperidin-4-yl]pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(c3ncc([N+](=O)[O-])n3C)CC2)n1Cl
InChIInChI=1S/C15H19ClN6O3/c1-10-3-4-12(21(10)16)14(23)18-11-5-7-20(8-6-11)15-17-9-13(19(15)2)22(24)25/h3-4,9,11H,5-8H2,1-2H3,(H,18,23)
InChIKeyHRINGFDYLFPMFH-UHFFFAOYSA-N
MW366.81 g/mol
LogP1.84
Rot. Bonds4

About 1-chloro-5-methyl-N-[1-(1-methyl-5-nitroimidazol-2-yl)piperidin-4-yl]pyrrole-2-carboxamide

1-chloro-5-methyl-N-[1-(1-methyl-5-nitroimidazol-2-yl)piperidin-4-yl]pyrrole-2-carboxamide (PubChem CID 174498384) has the molecular formula C15H19ClN6O3 and a molecular weight of 366.81 g/mol. Its IUPAC name is 1-chloro-5-methyl-N-[1-(1-methyl-5-nitroimidazol-2-yl)piperidin-4-yl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-chloro-5-methyl-N-[1-(1-methyl-5-nitroimidazol-2-yl)piperidin-4-yl]pyrrole-2-carboxamide
PubChem CID174498384
Molecular FormulaC15H19ClN6O3
Molecular Weight366.81 g/mol
Exact Mass366.12
IUPAC Name1-chloro-5-methyl-N-[1-(1-methyl-5-nitroimidazol-2-yl)piperidin-4-yl]pyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NC2CCN(c3ncc([N+](=O)[O-])n3C)CC2)n1Cl
InChIInChI=1S/C15H19ClN6O3/c1-10-3-4-12(21(10)16)14(23)18-11-5-7-20(8-6-11)15-17-9-13(19(15)2)22(24)25/h3-4,9,11H,5-8H2,1-2H3,(H,18,23)
InChIKeyHRINGFDYLFPMFH-UHFFFAOYSA-N
XLogP1.84
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-methyl-5-nitroimidazole-1-carboxamide
CID 20788089
1-cyclohexyl-3-[1-[(1-methyl-5-nitroimidazol-2-yl)methyl]piperidin-4-yl]urea
CID 86803452
1,5-dimethyl-N-[4-(methylamino)cyclohexyl]pyrrole-2-carboxamide
CID 79110293
2,5-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172899602
2-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172892019
2-[4-[(5-methylthiophene-2-carbonyl)amino]piperidin-1-yl]-5-nitropyridine-3-carboxamide
CID 133278490
2-methyl-N-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172891004
1-methyl-5-nitro-N-(6-oxopiperidin-3-yl)pyrrole-2-carboxamide
CID 62896423
1-methyl-N-(2-methylpiperidin-4-yl)-5-nitropyrrole-2-carboxamide;hydrochloride
CID 120600064
2,5-dimethyl-N-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172899580
cis-(1R,3S)-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320098
N-cyclopentyl-1,3-dimethyl-4-nitropyrazole-5-carboxamide
CID 19578053

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-methyl-N-[1-(1-methyl-5-nitroimidazol-2-yl)piperidin-4-yl]pyrrole-2-carboxamide?
The IUPAC name of 1-chloro-5-methyl-N-[1-(1-methyl-5-nitroimidazol-2-yl)piperidin-4-yl]pyrrole-2-carboxamide (CID 174498384) is 1-chloro-5-methyl-N-[1-(1-methyl-5-nitroimidazol-2-yl)piperidin-4-yl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-chloro-5-methyl-N-[1-(1-methyl-5-nitroimidazol-2-yl)piperidin-4-yl]pyrrole-2-carboxamide?
The canonical SMILES for 1-chloro-5-methyl-N-[1-(1-methyl-5-nitroimidazol-2-yl)piperidin-4-yl]pyrrole-2-carboxamide is Cc1ccc(C(=O)NC2CCN(c3ncc([N+](=O)[O-])n3C)CC2)n1Cl.
What is the InChIKey of 1-chloro-5-methyl-N-[1-(1-methyl-5-nitroimidazol-2-yl)piperidin-4-yl]pyrrole-2-carboxamide?
The InChIKey is HRINGFDYLFPMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O3/c1-10-3-4-12(21(10)16)14(23)18-11-5-7-20(8-6-11)15-17-9-13(19(15)2)22(24)25/h3-4,9,11H,5-8H2,1-2H3,(H,18,23).
What are the key properties of 1-chloro-5-methyl-N-[1-(1-methyl-5-nitroimidazol-2-yl)piperidin-4-yl]pyrrole-2-carboxamide?
1-chloro-5-methyl-N-[1-(1-methyl-5-nitroimidazol-2-yl)piperidin-4-yl]pyrrole-2-carboxamide has a molecular weight of 366.81 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-methyl-N-[1-(1-methyl-5-nitroimidazol-2-yl)piperidin-4-yl]pyrrole-2-carboxamide is sourced from PubChem (CID 174498384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).