N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine

C13H18N4O2 — CID 133347869

IUPACN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine
SMILESCC1CC(Nc2ncccc2[N+](=O)[O-])CN1C1CC1
InChIInChI=1S/C13H18N4O2/c1-9-7-10(8-16(9)11-4-5-11)15-13-12(17(18)19)3-2-6-14-13/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,14,15)
InChIKeyQMYNBBRDOADCAI-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.03
Rot. Bonds4

About N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine

N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine (PubChem CID 133347869) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine
PubChem CID133347869
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine
SMILESCC1CC(Nc2ncccc2[N+](=O)[O-])CN1C1CC1
InChIInChI=1S/C13H18N4O2/c1-9-7-10(8-16(9)11-4-5-11)15-13-12(17(18)19)3-2-6-14-13/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,14,15)
InChIKeyQMYNBBRDOADCAI-UHFFFAOYSA-N
XLogP2.03
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.03
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-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151
N-(2-methylcyclopropyl)-3-nitropyridin-2-amine
CID 62396767
4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 22591412
3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635600
N-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine
CID 18288213
3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635602
1-cyclopropyl-5-methyl-N-[(2-methyl-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 103114661
1-cyclopropyl-5-methyl-N-(4-methylsulfonyl-2-nitrophenyl)pyrrolidin-3-amine
CID 133347843
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-nitropyridin-2-amine
CID 11938982
N-[1-(2-fluoroethyl)piperidin-3-yl]-3-nitropyridin-2-amine
CID 126821677
N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine
CID 61223122
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)quinolin-5-amine
CID 115928349

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine?
The IUPAC name of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine (CID 133347869) is N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine.
What is the SMILES notation for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine?
The canonical SMILES for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine is CC1CC(Nc2ncccc2[N+](=O)[O-])CN1C1CC1.
What is the InChIKey of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine?
The InChIKey is QMYNBBRDOADCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-9-7-10(8-16(9)11-4-5-11)15-13-12(17(18)19)3-2-6-14-13/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,14,15).
What are the key properties of N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine?
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine has a molecular weight of 262.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine is sourced from PubChem (CID 133347869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).