2-amino-N-[3-(methylamino)-3-oxopropyl]-5-nitropyridine-3-carboxamide

C10H13N5O4 — CID 104586620

IUPAC2-amino-N-[3-(methylamino)-3-oxopropyl]-5-nitropyridine-3-carboxamide
SMILESCNC(=O)CCNC(=O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C10H13N5O4/c1-12-8(16)2-3-13-10(17)7-4-6(15(18)19)5-14-9(7)11/h4-5H,2-3H2,1H3,(H2,11,14)(H,12,16)(H,13,17)
InChIKeyXRGYQJOFXKGZNT-UHFFFAOYSA-N
MW267.25 g/mol
LogP-0.56
Rot. Bonds5

About 2-amino-N-[3-(methylamino)-3-oxopropyl]-5-nitropyridine-3-carboxamide

2-amino-N-[3-(methylamino)-3-oxopropyl]-5-nitropyridine-3-carboxamide (PubChem CID 104586620) has the molecular formula C10H13N5O4 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-amino-N-[3-(methylamino)-3-oxopropyl]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[3-(methylamino)-3-oxopropyl]-5-nitropyridine-3-carboxamide
PubChem CID104586620
Molecular FormulaC10H13N5O4
Molecular Weight267.25 g/mol
Exact Mass267.10
IUPAC Name2-amino-N-[3-(methylamino)-3-oxopropyl]-5-nitropyridine-3-carboxamide
SMILESCNC(=O)CCNC(=O)c1cc([N+](=O)[O-])cnc1N
InChIInChI=1S/C10H13N5O4/c1-12-8(16)2-3-13-10(17)7-4-6(15(18)19)5-14-9(7)11/h4-5H,2-3H2,1H3,(H2,11,14)(H,12,16)(H,13,17)
InChIKeyXRGYQJOFXKGZNT-UHFFFAOYSA-N
XLogP-0.56
TPSA140.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-0.56
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-amino-N-(3-methylsulfanylpropyl)-5-nitropyridine-3-carboxamide
CID 113429986
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-nitropyridine-3-carboxamide
CID 104589382
2-amino-N-(2-ethylsulfinylethyl)-5-nitropyridine-3-carboxamide
CID 104589277
2-amino-5-nitro-N-(4-propan-2-yloxybutyl)pyridine-3-carboxamide
CID 104600910
2-amino-5-nitro-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 104599367
2-amino-5-nitro-N-(2,3,3-trimethylbutyl)pyridine-3-carboxamide
CID 104589408
2-amino-N-[(1-methylsulfanylcyclopropyl)methyl]-5-nitropyridine-3-carboxamide
CID 107299437
2-chloro-N-[2-(methylamino)-2-oxoethyl]-5-nitropyridine-3-carboxamide
CID 103803521
2-amino-N-(3,3-dimethylbutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104592038
2-amino-5-nitro-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide
CID 104589791
2-amino-N-(4-methoxybutan-2-yl)-5-nitropyridine-3-carboxamide
CID 104587721
2-amino-N-(1-methylcyclobutyl)-5-nitropyridine-3-carboxamide
CID 104599377

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(methylamino)-3-oxopropyl]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[3-(methylamino)-3-oxopropyl]-5-nitropyridine-3-carboxamide (CID 104586620) is 2-amino-N-[3-(methylamino)-3-oxopropyl]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[3-(methylamino)-3-oxopropyl]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[3-(methylamino)-3-oxopropyl]-5-nitropyridine-3-carboxamide is CNC(=O)CCNC(=O)c1cc([N+](=O)[O-])cnc1N.
What is the InChIKey of 2-amino-N-[3-(methylamino)-3-oxopropyl]-5-nitropyridine-3-carboxamide?
The InChIKey is XRGYQJOFXKGZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4/c1-12-8(16)2-3-13-10(17)7-4-6(15(18)19)5-14-9(7)11/h4-5H,2-3H2,1H3,(H2,11,14)(H,12,16)(H,13,17).
What are the key properties of 2-amino-N-[3-(methylamino)-3-oxopropyl]-5-nitropyridine-3-carboxamide?
2-amino-N-[3-(methylamino)-3-oxopropyl]-5-nitropyridine-3-carboxamide has a molecular weight of 267.25 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(methylamino)-3-oxopropyl]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 104586620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).