N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitropyridin-2-amine

C11H16N4O3 — CID 62475877

IUPACN-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitropyridin-2-amine
SMILESCO[C@H]1CNCC1Nc1ncc([N+](=O)[O-])cc1C
InChIInChI=1S/C11H16N4O3/c1-7-3-8(15(16)17)4-13-11(7)14-9-5-12-6-10(9)18-2/h3-4,9-10,12H,5-6H2,1-2H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyBLYCAGWBFVLJCD-AXDSSHIGSA-N
MW252.27 g/mol
LogP0.70
Rot. Bonds4

About N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitropyridin-2-amine

N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitropyridin-2-amine (PubChem CID 62475877) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitropyridin-2-amine
PubChem CID62475877
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitropyridin-2-amine
SMILESCO[C@H]1CNCC1Nc1ncc([N+](=O)[O-])cc1C
InChIInChI=1S/C11H16N4O3/c1-7-3-8(15(16)17)4-13-11(7)14-9-5-12-6-10(9)18-2/h3-4,9-10,12H,5-6H2,1-2H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyBLYCAGWBFVLJCD-AXDSSHIGSA-N
XLogP0.70
TPSA89.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
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

1-N-(3-methyl-5-nitro-2-pyridinyl)cyclopropane-1,2-diamine
CID 62475699
N-[(4S)-4-methoxypyrrolidin-3-yl]-6-nitroquinazolin-4-amine
CID 64589275
2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 55080985
N-[(4S)-4-methoxypyrrolidin-3-yl]-5-nitro-1H-pyrazol-4-amine
CID 114988367
N-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine
CID 133399425
2-fluoro-N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitrobenzamide
CID 103297683
3-methyl-5-nitro-N-(2-phenylcyclopropyl)pyridin-2-amine
CID 62476705
N-[(4S)-4-methoxypyrrolidin-3-yl]-6-nitroquinolin-2-amine
CID 43598911
(4S)-N-(5-chloro-2-nitrophenyl)-4-methoxypyrrolidin-3-amine
CID 115471805
(4S)-N-(5-fluoro-2-nitrophenyl)-4-methoxypyrrolidin-3-amine
CID 62378345
3-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine
CID 103704257
4-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-3-nitrobenzonitrile
CID 43598978

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitropyridin-2-amine (CID 62475877) is N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitropyridin-2-amine is CO[C@H]1CNCC1Nc1ncc([N+](=O)[O-])cc1C.
What is the InChIKey of N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitropyridin-2-amine?
The InChIKey is BLYCAGWBFVLJCD-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-7-3-8(15(16)17)4-13-11(7)14-9-5-12-6-10(9)18-2/h3-4,9-10,12H,5-6H2,1-2H3,(H,13,14)/t9?,10-/m0/s1.
What are the key properties of N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitropyridin-2-amine?
N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitropyridin-2-amine has a molecular weight of 252.27 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-methoxypyrrolidin-3-yl]-3-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 62475877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).