2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitropyridine-3-carboxamide

C13H21N5O3 — CID 115310264

IUPAC2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitropyridine-3-carboxamide
SMILESCC(C)CC(C)(CN)Nc1ncc([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C13H21N5O3/c1-8(2)5-13(3,7-14)17-12-10(11(15)19)4-9(6-16-12)18(20)21/h4,6,8H,5,7,14H2,1-3H3,(H2,15,19)(H,16,17)
InChIKeyYPZFFFICYZEHGJ-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.26
Rot. Bonds7

About 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitropyridine-3-carboxamide

2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitropyridine-3-carboxamide (PubChem CID 115310264) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitropyridine-3-carboxamide
PubChem CID115310264
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitropyridine-3-carboxamide
SMILESCC(C)CC(C)(CN)Nc1ncc([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C13H21N5O3/c1-8(2)5-13(3,7-14)17-12-10(11(15)19)4-9(6-16-12)18(20)21/h4,6,8H,5,7,14H2,1-3H3,(H2,15,19)(H,16,17)
InChIKeyYPZFFFICYZEHGJ-UHFFFAOYSA-N
XLogP1.26
TPSA137.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.26
H-Bond Donors ≤ 53
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

2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitrobenzamide
CID 115310146
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methyl-5-nitropyridine-3-carboxamide
CID 119599446
2-[(3-carbamoyl-5-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 79799261
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
2-[[(3-carbamoyl-5-nitro-2-pyridinyl)amino]methyl]butanoic acid
CID 65226388
2-(1-aminohexan-2-ylamino)-5-nitropyridine-3-carboxamide
CID 80700351
2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide
CID 133287204
2-N-(2,6-dichloro-4-nitrophenyl)-2,4-dimethylpentane-1,2-diamine
CID 106891864
2,4-dimethyl-2-N-(2-nitro-3-pyridinyl)pentane-1,2-diamine
CID 104540937
N-(1-amino-2,4-dimethylpentan-2-yl)-2-bromo-5-nitrobenzamide
CID 115309751
N-(1-amino-2,4-dimethylpentan-2-yl)-4-nitro-1H-pyrrole-2-carboxamide
CID 81485800

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitropyridine-3-carboxamide (CID 115310264) is 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitropyridine-3-carboxamide is CC(C)CC(C)(CN)Nc1ncc([N+](=O)[O-])cc1C(N)=O.
What is the InChIKey of 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitropyridine-3-carboxamide?
The InChIKey is YPZFFFICYZEHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-8(2)5-13(3,7-14)17-12-10(11(15)19)4-9(6-16-12)18(20)21/h4,6,8H,5,7,14H2,1-3H3,(H2,15,19)(H,16,17).
What are the key properties of 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitropyridine-3-carboxamide?
2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitropyridine-3-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 1.26, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 115310264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).