N-(5-methyl-2-pyridinyl)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxamide

C19H20N6O3 — CID 119032334

IUPACN-(5-methyl-2-pyridinyl)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(c3nc4ccccn4c3[N+](=O)[O-])C2)nc1
InChIInChI=1S/C19H20N6O3/c1-13-7-8-15(20-11-13)21-18(26)14-5-4-9-23(12-14)17-19(25(27)28)24-10-3-2-6-16(24)22-17/h2-3,6-8,10-11,14H,4-5,9,12H2,1H3,(H,20,21,26)
InChIKeyUGKQGFZIVJCXLG-UHFFFAOYSA-N
MW380.41 g/mol
LogP2.80
Rot. Bonds4

About N-(5-methyl-2-pyridinyl)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxamide

N-(5-methyl-2-pyridinyl)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxamide (PubChem CID 119032334) has the molecular formula C19H20N6O3 and a molecular weight of 380.41 g/mol. Its IUPAC name is N-(5-methyl-2-pyridinyl)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-pyridinyl)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxamide
PubChem CID119032334
Molecular FormulaC19H20N6O3
Molecular Weight380.41 g/mol
Exact Mass380.16
IUPAC NameN-(5-methyl-2-pyridinyl)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxamide
SMILESCc1ccc(NC(=O)C2CCCN(c3nc4ccccn4c3[N+](=O)[O-])C2)nc1
InChIInChI=1S/C19H20N6O3/c1-13-7-8-15(20-11-13)21-18(26)14-5-4-9-23(12-14)17-19(25(27)28)24-10-3-2-6-16(24)22-17/h2-3,6-8,10-11,14H,4-5,9,12H2,1H3,(H,20,21,26)
InChIKeyUGKQGFZIVJCXLG-UHFFFAOYSA-N
XLogP2.80
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 52.80
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

(3R)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 100626150
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 133319012
(3S)-N-(5-methyl-2-pyridinyl)-1-(naphthalene-2-carbonyl)piperidine-3-carboxamide
CID 51959952
1-[3-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 133319017
ethyl 4-[3-[(5-methyl-2-pyridinyl)carbamoyl]piperidin-1-yl]quinoline-3-carboxylate
CID 133277758
2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 35416947
(3S)-1-(6-fluoroquinoline-8-carbonyl)-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 97252606
(3R)-1-(4-bromophenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 26028129
N-(5-methyl-2-pyridinyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 25162169
tert-butyl N-[1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidin-4-yl]carbamate
CID 60507246
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 138996832
1-(4-amino-5-nitropyrimidin-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 133270087

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pyridinyl)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-(5-methyl-2-pyridinyl)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxamide (CID 119032334) is N-(5-methyl-2-pyridinyl)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-2-pyridinyl)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(5-methyl-2-pyridinyl)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(c3nc4ccccn4c3[N+](=O)[O-])C2)nc1.
What is the InChIKey of N-(5-methyl-2-pyridinyl)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxamide?
The InChIKey is UGKQGFZIVJCXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3/c1-13-7-8-15(20-11-13)21-18(26)14-5-4-9-23(12-14)17-19(25(27)28)24-10-3-2-6-16(24)22-17/h2-3,6-8,10-11,14H,4-5,9,12H2,1H3,(H,20,21,26).
What are the key properties of N-(5-methyl-2-pyridinyl)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxamide?
N-(5-methyl-2-pyridinyl)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxamide has a molecular weight of 380.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pyridinyl)-1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 119032334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).