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

C12H18N4O2 — CID 113224848

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-2-nitropyridin-3-amine
SMILESCCN1CCC(CNc2cccnc2[N+](=O)[O-])C1
InChIInChI=1S/C12H18N4O2/c1-2-15-7-5-10(9-15)8-14-11-4-3-6-13-12(11)16(17)18/h3-4,6,10,14H,2,5,7-9H2,1H3
InChIKeyDHSPFNJYCYLWQO-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.74
Rot. Bonds5

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

N-[(1-ethylpyrrolidin-3-yl)methyl]-2-nitropyridin-3-amine (PubChem CID 113224848) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-2-nitropyridin-3-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2-nitropyridin-3-amine
PubChem CID113224848
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-2-nitropyridin-3-amine
SMILESCCN1CCC(CNc2cccnc2[N+](=O)[O-])C1
InChIInChI=1S/C12H18N4O2/c1-2-15-7-5-10(9-15)8-14-11-4-3-6-13-12(11)16(17)18/h3-4,6,10,14H,2,5,7-9H2,1H3
InChIKeyDHSPFNJYCYLWQO-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
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

N-(cyclopropylmethyl)-2-nitropyridin-3-amine
CID 119030468
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-hydrazinyl-2-nitroaniline
CID 80899247
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,4-dinitroaniline
CID 60911186
4-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-nitropyrimidine-4,6-diamine
CID 80789254
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-iodo-4-nitroaniline
CID 66095324
N-[(2-methylcyclopropyl)methyl]-2-nitropyridin-3-amine
CID 115586099
methyl 2-[(1-ethylpyrrolidin-3-yl)methylamino]pyridine-3-carboxylate
CID 62000868
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methyl-3-nitropyridin-2-amine
CID 81139026
N-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-difluoro-2-nitroaniline
CID 115507744
4-[(1-ethylpyrrolidin-3-yl)methylamino]-3-nitrobenzaldehyde
CID 83103928
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methylsulfonylaniline
CID 60856551
3-N-[(1-ethylpiperidin-4-yl)methyl]-2-nitrobenzene-1,3-diamine
CID 80812500

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-nitropyridin-3-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-nitropyridin-3-amine (CID 113224848) is N-[(1-ethylpyrrolidin-3-yl)methyl]-2-nitropyridin-3-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-nitropyridin-3-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-nitropyridin-3-amine is CCN1CCC(CNc2cccnc2[N+](=O)[O-])C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-nitropyridin-3-amine?
The InChIKey is DHSPFNJYCYLWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-15-7-5-10(9-15)8-14-11-4-3-6-13-12(11)16(17)18/h3-4,6,10,14H,2,5,7-9H2,1H3.
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-2-nitropyridin-3-amine?
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-nitropyridin-3-amine has a molecular weight of 250.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-2-nitropyridin-3-amine is sourced from PubChem (CID 113224848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).