2-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-cyclopropylacetamide

C11H11N5O3 — CID 60678014

IUPAC2-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-cyclopropylacetamide
SMILESN#Cc1cc([N+](=O)[O-])cnc1NCC(=O)NC1CC1
InChIInChI=1S/C11H11N5O3/c12-4-7-3-9(16(18)19)5-13-11(7)14-6-10(17)15-8-1-2-8/h3,5,8H,1-2,6H2,(H,13,14)(H,15,17)
InChIKeyRYTCEDTWQBKTCX-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.55
Rot. Bonds5

About 2-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-cyclopropylacetamide

2-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-cyclopropylacetamide (PubChem CID 60678014) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-cyclopropylacetamide
PubChem CID60678014
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name2-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-cyclopropylacetamide
SMILESN#Cc1cc([N+](=O)[O-])cnc1NCC(=O)NC1CC1
InChIInChI=1S/C11H11N5O3/c12-4-7-3-9(16(18)19)5-13-11(7)14-6-10(17)15-8-1-2-8/h3,5,8H,1-2,6H2,(H,13,14)(H,15,17)
InChIKeyRYTCEDTWQBKTCX-UHFFFAOYSA-N
XLogP0.55
TPSA120.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.55
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'}

Analyze 2-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-cyclopropylacetamide 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-(propylamino)pyridine-3-carbonitrile
CID 25197726
2-[(3-cyano-5-nitro-2-pyridinyl)amino]ethyl carbamate
CID 83203409
2-(2-cyclohexyloxyethylamino)-5-nitropyridine-3-carbonitrile
CID 62198247
3-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-propylpropanamide
CID 61064039
1-[[(3-cyano-5-nitro-2-pyridinyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445700
2-[(4-hydroxyphenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 115618350
3-[(3-cyano-5-nitro-2-pyridinyl)amino]-3-methylbutanamide
CID 106097168
5-nitro-2-(thian-2-ylmethylamino)pyridine-3-carbonitrile
CID 80612340
2-[(5-hydroxy-4-methylpentyl)amino]-5-nitropyridine-3-carbonitrile
CID 103858554
2-[(3-methyl-2-propan-2-ylbutyl)amino]-5-nitropyridine-3-carbonitrile
CID 102913997
2-[(4-cyanophenyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60964527
2-(2-aminopropylamino)-5-nitropyridine-3-carbonitrile
CID 63732552

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-cyclopropylacetamide (CID 60678014) is 2-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-cyclopropylacetamide is N#Cc1cc([N+](=O)[O-])cnc1NCC(=O)NC1CC1.
What is the InChIKey of 2-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-cyclopropylacetamide?
The InChIKey is RYTCEDTWQBKTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c12-4-7-3-9(16(18)19)5-13-11(7)14-6-10(17)15-8-1-2-8/h3,5,8H,1-2,6H2,(H,13,14)(H,15,17).
What are the key properties of 2-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-cyclopropylacetamide?
2-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-cyclopropylacetamide has a molecular weight of 261.24 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-cyclopropylacetamide is sourced from PubChem (CID 60678014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).