2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]-1-pyrrolidin-1-ylethanone

C13H15N5O3 — CID 18142997

IUPAC2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNc1nc2ccccn2c1[N+](=O)[O-])N1CCCC1
InChIInChI=1S/C13H15N5O3/c19-11(16-6-3-4-7-16)9-14-12-13(18(20)21)17-8-2-1-5-10(17)15-12/h1-2,5,8,14H,3-4,6-7,9H2
InChIKeyAMILAVDUFKNETN-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.28
Rot. Bonds4

About 2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]-1-pyrrolidin-1-ylethanone

2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 18142997) has the molecular formula C13H15N5O3 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID18142997
Molecular FormulaC13H15N5O3
Molecular Weight289.29 g/mol
Exact Mass289.12
IUPAC Name2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]-1-pyrrolidin-1-ylethanone
SMILESO=C(CNc1nc2ccccn2c1[N+](=O)[O-])N1CCCC1
InChIInChI=1S/C13H15N5O3/c19-11(16-6-3-4-7-16)9-14-12-13(18(20)21)17-8-2-1-5-10(17)15-12/h1-2,5,8,14H,3-4,6-7,9H2
InChIKeyAMILAVDUFKNETN-UHFFFAOYSA-N
XLogP1.28
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

3-nitro-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrido[1,2-a]pyrimidin-4-one
CID 46531732
3-nitro-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[1,2-a]pyridin-2-amine
CID 18095865
2-[4-(3-nitroimidazo[1,2-a]pyridin-2-yl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 35416947
4-[2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]ethyl]phenol
CID 60567803
N-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 32877185
N-[2-(2-methylphenyl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095557
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095876
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 47087232
N-[[(3S,8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl]methyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 94795824
N-(2,3-dihydro-1-benzofuran-3-yl)-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 56800330
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 56790398
N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine
CID 18095899

Frequently Asked Questions

What is the IUPAC name of 2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]-1-pyrrolidin-1-ylethanone (CID 18142997) is 2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]-1-pyrrolidin-1-ylethanone is O=C(CNc1nc2ccccn2c1[N+](=O)[O-])N1CCCC1.
What is the InChIKey of 2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is AMILAVDUFKNETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c19-11(16-6-3-4-7-16)9-14-12-13(18(20)21)17-8-2-1-5-10(17)15-12/h1-2,5,8,14H,3-4,6-7,9H2.
What are the key properties of 2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]-1-pyrrolidin-1-ylethanone?
2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 289.29 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-nitroimidazo[1,2-a]pyridin-2-yl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 18142997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).