5-amino-6-(3-pyridin-4-ylpropoxy)pyridine-2-carboxamide

C14H16N4O2 — CID 114408728

IUPAC5-amino-6-(3-pyridin-4-ylpropoxy)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(OCCCc2ccncc2)n1
InChIInChI=1S/C14H16N4O2/c15-11-3-4-12(13(16)19)18-14(11)20-9-1-2-10-5-7-17-8-6-10/h3-8H,1-2,9,15H2,(H2,16,19)
InChIKeyPIAXKMCPTGVJQF-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.17
Rot. Bonds6

About 5-amino-6-(3-pyridin-4-ylpropoxy)pyridine-2-carboxamide

5-amino-6-(3-pyridin-4-ylpropoxy)pyridine-2-carboxamide (PubChem CID 114408728) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-amino-6-(3-pyridin-4-ylpropoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-6-(3-pyridin-4-ylpropoxy)pyridine-2-carboxamide
PubChem CID114408728
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-amino-6-(3-pyridin-4-ylpropoxy)pyridine-2-carboxamide
SMILESNC(=O)c1ccc(N)c(OCCCc2ccncc2)n1
InChIInChI=1S/C14H16N4O2/c15-11-3-4-12(13(16)19)18-14(11)20-9-1-2-10-5-7-17-8-6-10/h3-8H,1-2,9,15H2,(H2,16,19)
InChIKeyPIAXKMCPTGVJQF-UHFFFAOYSA-N
XLogP1.17
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-6-(3-pyridin-4-ylpropoxy)pyridine-2-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-amino-6-(2-methoxyethoxy)pyridine-2-carboxamide
CID 114408602
6-methoxy-2-(3-pyridin-4-ylpropoxy)pyridin-3-amine
CID 115321102
methyl 5-amino-6-(3-phenylpropoxy)pyridine-2-carboxylate
CID 114408903
5-amino-6-(2-ethoxyethoxy)pyridine-2-carboxamide
CID 114408541
2-amino-5-(3-pyridin-4-ylpropoxy)benzamide
CID 61306005
5-amino-6-phenylmethoxypyridine-2-carboxamide
CID 114408377
5-amino-6-(2,2-difluoroethoxy)pyridine-2-carboxamide
CID 114409165
5-amino-6-(cyclopentylmethoxy)pyridine-2-carboxamide
CID 114409081
5-amino-6-butoxypyridine-2-carboxylic acid
CID 114408773
2,5-dimethyl-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine
CID 80865296
5-bromo-2-(3-pyridin-4-ylpropoxy)pyridin-3-amine
CID 61228872
3-amino-4-(3-pyridin-4-ylpropoxy)benzoic acid
CID 60987478

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-pyridin-4-ylpropoxy)pyridine-2-carboxamide?
The IUPAC name of 5-amino-6-(3-pyridin-4-ylpropoxy)pyridine-2-carboxamide (CID 114408728) is 5-amino-6-(3-pyridin-4-ylpropoxy)pyridine-2-carboxamide.
What is the SMILES notation for 5-amino-6-(3-pyridin-4-ylpropoxy)pyridine-2-carboxamide?
The canonical SMILES for 5-amino-6-(3-pyridin-4-ylpropoxy)pyridine-2-carboxamide is NC(=O)c1ccc(N)c(OCCCc2ccncc2)n1.
What is the InChIKey of 5-amino-6-(3-pyridin-4-ylpropoxy)pyridine-2-carboxamide?
The InChIKey is PIAXKMCPTGVJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-11-3-4-12(13(16)19)18-14(11)20-9-1-2-10-5-7-17-8-6-10/h3-8H,1-2,9,15H2,(H2,16,19).
What are the key properties of 5-amino-6-(3-pyridin-4-ylpropoxy)pyridine-2-carboxamide?
5-amino-6-(3-pyridin-4-ylpropoxy)pyridine-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-pyridin-4-ylpropoxy)pyridine-2-carboxamide is sourced from PubChem (CID 114408728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).