N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine

C12H18N4O2 — CID 43081483

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine
SMILESCCN1CCCC1CNc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O2/c1-2-15-8-4-5-10(15)9-14-12-11(16(17)18)6-3-7-13-12/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,13,14)
InChIKeyAWHJHOOTFXYXFL-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.89
Rot. Bonds5

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine (PubChem CID 43081483) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine
PubChem CID43081483
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine
SMILESCCN1CCCC1CNc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O2/c1-2-15-8-4-5-10(15)9-14-12-11(16(17)18)6-3-7-13-12/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,13,14)
InChIKeyAWHJHOOTFXYXFL-UHFFFAOYSA-N
XLogP1.89
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-nitroaniline
CID 62084070
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-nitro-1,3-benzoxazol-2-amine
CID 79881994
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62165371
3-nitro-N-(oxan-4-ylmethyl)pyridin-2-amine
CID 62350491
3-nitro-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 28557215
N-cycloheptyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306651
3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-nitroaniline
CID 104835688
tert-butyl (3R)-3-[[(3-nitro-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 86318245
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-nitropyridin-2-amine
CID 60504549
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-nitropyridin-2-amine
CID 115599538
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-3-nitropyridin-2-amine
CID 56786790
N-(2-methylpropyl)-3-nitropyridin-2-amine;hydrochloride
CID 163342723

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine (CID 43081483) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine is CCN1CCCC1CNc1ncccc1[N+](=O)[O-].
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine?
The InChIKey is AWHJHOOTFXYXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-15-8-4-5-10(15)9-14-12-11(16(17)18)6-3-7-13-12/h3,6-7,10H,2,4-5,8-9H2,1H3,(H,13,14).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine has a molecular weight of 250.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 43081483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).