2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide

C11H17N5O3 — CID 115303189

IUPAC2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide
SMILESCNCC(C)CNc1ncc([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C11H17N5O3/c1-7(4-13-2)5-14-11-9(10(12)17)3-8(6-15-11)16(18)19/h3,6-7,13H,4-5H2,1-2H3,(H2,12,17)(H,14,15)
InChIKeyXFPRSMOPHXQSTK-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.36
Rot. Bonds7

About 2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide

2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide (PubChem CID 115303189) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide
PubChem CID115303189
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide
SMILESCNCC(C)CNc1ncc([N+](=O)[O-])cc1C(N)=O
InChIInChI=1S/C11H17N5O3/c1-7(4-13-2)5-14-11-9(10(12)17)3-8(6-15-11)16(18)19/h3,6-7,13H,4-5H2,1-2H3,(H2,12,17)(H,14,15)
InChIKeyXFPRSMOPHXQSTK-UHFFFAOYSA-N
XLogP0.36
TPSA123.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.36
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'}

Analyze 2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-nitro-2-[2-(propan-2-ylamino)ethylamino]pyridine-3-carboxamide
CID 55100789
2-[[(3-carbamoyl-5-nitro-2-pyridinyl)amino]methyl]butanoic acid
CID 65226388
2-[2-(4-methylpiperazin-1-yl)propylamino]-5-nitropyridine-3-carboxamide
CID 133287204
N,2-dimethyl-N'-(5-nitropyrimidin-2-yl)propane-1,3-diamine
CID 115303176
2-[(1-amino-2,4-dimethylpentan-2-yl)amino]-5-nitropyridine-3-carboxamide
CID 115310264
N,2-dimethyl-N'-(5-nitro-2-pyridinyl)propane-1,3-diamine
CID 115303127
2-[(3-carbamoyl-5-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 79799261
N-(5-chloro-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 115303224
N-(5-bromo-3-nitro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 113282676
2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-5-nitropyridine-3-carboxamide
CID 133491788
2-[(3-fluoro-4-methylphenyl)methylamino]-5-nitropyridine-3-carboxamide
CID 78862249
5-nitro-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]pyridine-3-carboxamide
CID 94178450

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide (CID 115303189) is 2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide is CNCC(C)CNc1ncc([N+](=O)[O-])cc1C(N)=O.
What is the InChIKey of 2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide?
The InChIKey is XFPRSMOPHXQSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-7(4-13-2)5-14-11-9(10(12)17)3-8(6-15-11)16(18)19/h3,6-7,13H,4-5H2,1-2H3,(H2,12,17)(H,14,15).
What are the key properties of 2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide?
2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-3-(methylamino)propyl]amino]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 115303189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).