2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]-5-nitropyridine-3-carboxamide

C16H18N4O4 — CID 94178776

IUPAC2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]-5-nitropyridine-3-carboxamide
SMILESCOc1ccccc1C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C16H18N4O4/c1-10(7-11-5-3-4-6-14(11)24-2)19-16-13(15(17)21)8-12(9-18-16)20(22)23/h3-6,8-10H,7H2,1-2H3,(H2,17,21)(H,18,19)/t10-/m1/s1
InChIKeyZUULELFPSXERJE-SNVBAGLBSA-N
MW330.34 g/mol
LogP2.14
Rot. Bonds7

About 2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]-5-nitropyridine-3-carboxamide

2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]-5-nitropyridine-3-carboxamide (PubChem CID 94178776) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]-5-nitropyridine-3-carboxamide
PubChem CID94178776
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]-5-nitropyridine-3-carboxamide
SMILESCOc1ccccc1C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C16H18N4O4/c1-10(7-11-5-3-4-6-14(11)24-2)19-16-13(15(17)21)8-12(9-18-16)20(22)23/h3-6,8-10H,7H2,1-2H3,(H2,17,21)(H,18,19)/t10-/m1/s1
InChIKeyZUULELFPSXERJE-SNVBAGLBSA-N
XLogP2.14
TPSA120.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.14
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

5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide
CID 94178450
5-amino-2-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 61357803
5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 55100789
2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide
CID 115303189
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
2-(1-aminohexan-2-ylamino)-5-nitropyridine-3-carboxamide
CID 80700351
2-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]-5-nitropyridine-3-carboxamide
CID 133414724
methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
CID 43786749
2-[[4-methoxy-2-(trifluoromethyl)phenyl]methylamino]-5-nitropyridine-3-carboxamide
CID 133275354
2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitropyridine-3-carboxamide
CID 115310264
2-[[(3-carbamoyl-5-nitro-2-pyridinyl)amino]methyl]butanoic acid
CID 65226388
2-[[(1S)-1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]amino]-5-nitropyridine-3-carboxamide
CID 95974455

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]-5-nitropyridine-3-carboxamide (CID 94178776) is 2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]-5-nitropyridine-3-carboxamide is COc1ccccc1C[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C(N)=O.
What is the InChIKey of 2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]-5-nitropyridine-3-carboxamide?
The InChIKey is ZUULELFPSXERJE-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-10(7-11-5-3-4-6-14(11)24-2)19-16-13(15(17)21)8-12(9-18-16)20(22)23/h3-6,8-10H,7H2,1-2H3,(H2,17,21)(H,18,19)/t10-/m1/s1.
What are the key properties of 2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]-5-nitropyridine-3-carboxamide?
2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]-5-nitropyridine-3-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-(2-methoxyphenyl)propan-2-yl]amino]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 94178776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).