N-(1-aminopropan-2-yl)-N,2-dimethyl-5-nitropyridine-3-carboxamide

C11H16N4O3 — CID 119583999

IUPACN-(1-aminopropan-2-yl)-N,2-dimethyl-5-nitropyridine-3-carboxamide
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)N(C)C(C)CN
InChIInChI=1S/C11H16N4O3/c1-7(5-12)14(3)11(16)10-4-9(15(17)18)6-13-8(10)2/h4,6-7H,5,12H2,1-3H3
InChIKeyPEMDUQCFXYWQHX-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.72
Rot. Bonds4

About N-(1-aminopropan-2-yl)-N,2-dimethyl-5-nitropyridine-3-carboxamide

N-(1-aminopropan-2-yl)-N,2-dimethyl-5-nitropyridine-3-carboxamide (PubChem CID 119583999) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N,2-dimethyl-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N,2-dimethyl-5-nitropyridine-3-carboxamide
PubChem CID119583999
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC NameN-(1-aminopropan-2-yl)-N,2-dimethyl-5-nitropyridine-3-carboxamide
SMILESCc1ncc([N+](=O)[O-])cc1C(=O)N(C)C(C)CN
InChIInChI=1S/C11H16N4O3/c1-7(5-12)14(3)11(16)10-4-9(15(17)18)6-13-8(10)2/h4,6-7H,5,12H2,1-3H3
InChIKeyPEMDUQCFXYWQHX-UHFFFAOYSA-N
XLogP0.72
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.72
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

2-amino-N-butan-2-yl-N-methyl-5-nitropyridine-3-carboxamide
CID 104589876
2-[(2-methyl-5-nitropyridine-3-carbonyl)-propan-2-ylamino]acetic acid
CID 120518170
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethyl-5-nitropyridine-3-carboxamide;hydrochloride
CID 119655604
N,2-dimethyl-N-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-5-nitropyridine-3-carboxamide
CID 91646317
2-methyl-N-(2-methylpropyl)-5-nitropyridine-3-carboxamide
CID 21405310
2-methyl-N-(4-methylphenyl)-5-nitro-N-propan-2-ylpyridine-3-carboxamide
CID 71934476
N-(1-amino-2,3-dimethylbutan-2-yl)-2-methyl-5-nitropyridine-3-carboxamide
CID 119607906
4-methyl-2-[[(2-methyl-5-nitropyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 120528434
3-[(2-methyl-5-nitropyridine-3-carbonyl)amino]butanoic acid
CID 119347951
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methyl-5-nitropyridine-3-carboxamide
CID 119599446
N-[(2-hydroxycyclopentyl)methyl]-N,2-dimethyl-5-nitropyridine-3-carboxamide
CID 109400050
N-butan-2-yl-2,3-dichloro-N-methyl-5-nitrobenzamide
CID 107187433

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N,2-dimethyl-5-nitropyridine-3-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N,2-dimethyl-5-nitropyridine-3-carboxamide (CID 119583999) is N-(1-aminopropan-2-yl)-N,2-dimethyl-5-nitropyridine-3-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N,2-dimethyl-5-nitropyridine-3-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N,2-dimethyl-5-nitropyridine-3-carboxamide is Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)C(C)CN.
What is the InChIKey of N-(1-aminopropan-2-yl)-N,2-dimethyl-5-nitropyridine-3-carboxamide?
The InChIKey is PEMDUQCFXYWQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-7(5-12)14(3)11(16)10-4-9(15(17)18)6-13-8(10)2/h4,6-7H,5,12H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-N,2-dimethyl-5-nitropyridine-3-carboxamide?
N-(1-aminopropan-2-yl)-N,2-dimethyl-5-nitropyridine-3-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N,2-dimethyl-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 119583999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).