5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide

C16H19N3O — CID 64520429

IUPAC5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide
SMILESNCC#Cc1cncc(C(=O)N(CC2CC2)C2CC2)c1
InChIInChI=1S/C16H19N3O/c17-7-1-2-13-8-14(10-18-9-13)16(20)19(15-5-6-15)11-12-3-4-12/h8-10,12,15H,3-7,11,17H2
InChIKeyLFQXKPKJWPMYSJ-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.41
Rot. Bonds4

About 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide

5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide (PubChem CID 64520429) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide
PubChem CID64520429
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide
SMILESNCC#Cc1cncc(C(=O)N(CC2CC2)C2CC2)c1
InChIInChI=1S/C16H19N3O/c17-7-1-2-13-8-14(10-18-9-13)16(20)19(15-5-6-15)11-12-3-4-12/h8-10,12,15H,3-7,11,17H2
InChIKeyLFQXKPKJWPMYSJ-UHFFFAOYSA-N
XLogP1.41
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)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

5-(3-aminoprop-1-ynyl)-N-(cyclopentylmethyl)-N-methylpyridine-3-carboxamide
CID 63655551
N-cyclopropyl-5-(3-hydroxyprop-1-ynyl)-N-methylpyridine-3-carboxamide
CID 54974844
N-(cyclopropylmethyl)-N-ethyl-5-(4-hydroxybut-1-ynyl)pyridine-3-carboxamide
CID 63938139
[5-(3-aminoprop-1-ynyl)-3-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114799401
N-cyclopropyl-5-hydroxy-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide
CID 79720724
5-(3-aminoprop-1-ynyl)-N',N'-dimethylpyridine-3-carbohydrazide
CID 83023049
[5-(3-aminoprop-1-ynyl)-3-pyridinyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837192
2-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)-5-methylbenzamide
CID 81112328
methyl 5-(3-aminoprop-1-ynyl)pyridine-3-carboxylate;hydrochloride
CID 163333350
5-(3-aminoprop-1-ynyl)-N-(thian-2-ylmethyl)pyridine-3-carboxamide
CID 80612685
5-(3-aminoprop-1-ynyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 54974505
3-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-propylbenzamide
CID 60822484

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide (CID 64520429) is 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide is NCC#Cc1cncc(C(=O)N(CC2CC2)C2CC2)c1.
What is the InChIKey of 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide?
The InChIKey is LFQXKPKJWPMYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c17-7-1-2-13-8-14(10-18-9-13)16(20)19(15-5-6-15)11-12-3-4-12/h8-10,12,15H,3-7,11,17H2.
What are the key properties of 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide?
5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminoprop-1-ynyl)-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 64520429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).