5-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridin-2-amine

C16H18N4O2 — CID 36833284

IUPAC5-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NC[C@H]2CCN(c3ccccc3)C2)nc1
InChIInChI=1S/C16H18N4O2/c21-20(22)15-6-7-16(18-11-15)17-10-13-8-9-19(12-13)14-4-2-1-3-5-14/h1-7,11,13H,8-10,12H2,(H,17,18)/t13-/m1/s1
InChIKeyVWMRNWGTCBXJOX-CYBMUJFWSA-N
MW298.35 g/mol
LogP2.93
Rot. Bonds5

About 5-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridin-2-amine

5-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridin-2-amine (PubChem CID 36833284) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridin-2-amine
PubChem CID36833284
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name5-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESO=[N+]([O-])c1ccc(NC[C@H]2CCN(c3ccccc3)C2)nc1
InChIInChI=1S/C16H18N4O2/c21-20(22)15-6-7-16(18-11-15)17-10-13-8-9-19(12-13)14-4-2-1-3-5-14/h1-7,11,13H,8-10,12H2,(H,17,18)/t13-/m1/s1
InChIKeyVWMRNWGTCBXJOX-CYBMUJFWSA-N
XLogP2.93
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.93
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-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-nitropyrimidin-2-amine
CID 75455214
5-[(1-phenylpyrrolidin-3-yl)methylamino]pyrazine-2-carbonitrile
CID 133291105
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-5-nitropyridin-2-amine
CID 133293288
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]quinolin-2-amine
CID 97312348
[(3R)-1-(4-nitrophenyl)pyrrolidin-3-yl]methylcarbamic acid
CID 67148678
4,5-dimethyl-2-[6-[(1-phenylpyrrolidin-3-yl)methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268074
2-nitro-3-[(1-phenylpyrrolidin-3-yl)methylamino]benzenesulfonamide
CID 133442099
N-cyclopropyl-N'-(5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 62663238
[1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]methanol
CID 62371884
[1-(4-nitrophenyl)pyrrolidin-3-yl]methanol
CID 62370454
tert-butyl N-[[(3R)-1-(5-nitro-2-pyridinyl)pyrrolidin-3-yl]methyl]carbamate
CID 97174632
6-[[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95290155

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridin-2-amine?
The IUPAC name of 5-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridin-2-amine (CID 36833284) is 5-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for 5-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridin-2-amine is O=[N+]([O-])c1ccc(NC[C@H]2CCN(c3ccccc3)C2)nc1.
What is the InChIKey of 5-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridin-2-amine?
The InChIKey is VWMRNWGTCBXJOX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-20(22)15-6-7-16(18-11-15)17-10-13-8-9-19(12-13)14-4-2-1-3-5-14/h1-7,11,13H,8-10,12H2,(H,17,18)/t13-/m1/s1.
What are the key properties of 5-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridin-2-amine?
5-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridin-2-amine has a molecular weight of 298.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 36833284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).