N,N-bis(cyanomethyl)-6-(propylamino)pyridine-3-carboxamide

C13H15N5O — CID 55042439

IUPACN,N-bis(cyanomethyl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)N(CC#N)CC#N)cn1
InChIInChI=1S/C13H15N5O/c1-2-7-16-12-4-3-11(10-17-12)13(19)18(8-5-14)9-6-15/h3-4,10H,2,7-9H2,1H3,(H,16,17)
InChIKeyRSABGPCADAYAQZ-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.39
Rot. Bonds6

About N,N-bis(cyanomethyl)-6-(propylamino)pyridine-3-carboxamide

N,N-bis(cyanomethyl)-6-(propylamino)pyridine-3-carboxamide (PubChem CID 55042439) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is N,N-bis(cyanomethyl)-6-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-bis(cyanomethyl)-6-(propylamino)pyridine-3-carboxamide
PubChem CID55042439
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC NameN,N-bis(cyanomethyl)-6-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccc(C(=O)N(CC#N)CC#N)cn1
InChIInChI=1S/C13H15N5O/c1-2-7-16-12-4-3-11(10-17-12)13(19)18(8-5-14)9-6-15/h3-4,10H,2,7-9H2,1H3,(H,16,17)
InChIKeyRSABGPCADAYAQZ-UHFFFAOYSA-N
XLogP1.39
TPSA92.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze N,N-bis(cyanomethyl)-6-(propylamino)pyridine-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

N-(2-hydroxyethyl)-N-propyl-6-(propylamino)pyridine-3-carboxamide
CID 55046804
N-(2-ethoxyethyl)-N-ethyl-6-(propylamino)pyridine-3-carboxamide
CID 63692575
6-[2-(dimethylamino)ethylamino]-N,N-dipropylpyridine-3-carboxamide
CID 109153775
N-(2-hydroxyethyl)-N-methyl-6-(propylamino)pyridine-3-carboxamide
CID 55046985
2-chloro-N,N-bis(cyanomethyl)-6-(propylamino)pyridine-4-carboxamide
CID 62184912
N-propan-2-yl-N-propyl-6-(propylamino)pyridine-3-carboxamide
CID 62168280
6-[2-(dimethylamino)ethylamino]-N,N-diethylpyridine-3-carboxamide
CID 109153766
N,N-bis(cyanomethyl)-6-fluoropyridine-3-carboxamide
CID 63971968
N',N'-dimethyl-6-(propylamino)pyridine-3-carbohydrazide
CID 83024179
N-(2-methylbutyl)-6-(propylamino)pyridine-3-carboxamide
CID 62693585
N-methyl-N-(4-methylcyclohexyl)-6-(propylamino)pyridine-3-carboxamide
CID 62178480
N-methyl-6-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109151190

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyanomethyl)-6-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N,N-bis(cyanomethyl)-6-(propylamino)pyridine-3-carboxamide (CID 55042439) is N,N-bis(cyanomethyl)-6-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N,N-bis(cyanomethyl)-6-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N,N-bis(cyanomethyl)-6-(propylamino)pyridine-3-carboxamide is CCCNc1ccc(C(=O)N(CC#N)CC#N)cn1.
What is the InChIKey of N,N-bis(cyanomethyl)-6-(propylamino)pyridine-3-carboxamide?
The InChIKey is RSABGPCADAYAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-2-7-16-12-4-3-11(10-17-12)13(19)18(8-5-14)9-6-15/h3-4,10H,2,7-9H2,1H3,(H,16,17).
What are the key properties of N,N-bis(cyanomethyl)-6-(propylamino)pyridine-3-carboxamide?
N,N-bis(cyanomethyl)-6-(propylamino)pyridine-3-carboxamide has a molecular weight of 257.30 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyanomethyl)-6-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 55042439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).