N-cyclopropyl-6-(3-cyclopropylprop-2-ynylamino)pyridine-3-carboxamide

C15H17N3O — CID 166293592

IUPACN-cyclopropyl-6-(3-cyclopropylprop-2-ynylamino)pyridine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(NCC#CC2CC2)nc1
InChIInChI=1S/C15H17N3O/c19-15(18-13-6-7-13)12-5-8-14(17-10-12)16-9-1-2-11-3-4-11/h5,8,10-11,13H,3-4,6-7,9H2,(H,16,17)(H,18,19)
InChIKeyQWLZSTJJNIKEKF-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.80
Rot. Bonds4

About N-cyclopropyl-6-(3-cyclopropylprop-2-ynylamino)pyridine-3-carboxamide

N-cyclopropyl-6-(3-cyclopropylprop-2-ynylamino)pyridine-3-carboxamide (PubChem CID 166293592) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-cyclopropyl-6-(3-cyclopropylprop-2-ynylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-(3-cyclopropylprop-2-ynylamino)pyridine-3-carboxamide
PubChem CID166293592
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-cyclopropyl-6-(3-cyclopropylprop-2-ynylamino)pyridine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(NCC#CC2CC2)nc1
InChIInChI=1S/C15H17N3O/c19-15(18-13-6-7-13)12-5-8-14(17-10-12)16-9-1-2-11-3-4-11/h5,8,10-11,13H,3-4,6-7,9H2,(H,16,17)(H,18,19)
InChIKeyQWLZSTJJNIKEKF-UHFFFAOYSA-N
XLogP1.80
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclobutyl-6-(ethylamino)pyridine-3-carboxamide
CID 62415039
6-(ethylamino)-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 62173346
N-cyclooctyl-6-(ethylamino)pyridine-3-carboxamide
CID 62171358
N-cyclopropyl-6-(1,3-oxazol-5-ylmethylamino)pyridine-3-carboxamide
CID 167750031
6-(cyclohexylamino)-N-cyclopropylpyridine-3-carboxamide
CID 25473351
N-cyclopropyl-6-[(1-fluorocyclobutyl)methylamino]pyridine-3-carboxamide
CID 167907269
N-cycloheptyl-6-(pentylamino)pyridine-3-carboxamide
CID 109161059
6-[(4-cyanophenyl)methylamino]-N-cyclopropylpyridine-3-carboxamide
CID 167759595
N-cyclopentyl-6-(2-phenylethylamino)pyridine-3-carboxamide
CID 1447863
N-cyclopropyl-6-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]methylamino]pyridine-3-carboxamide
CID 167933726
N-(3,5-dimethylcyclohexyl)-6-(ethylamino)pyridine-3-carboxamide
CID 64731574
methyl 3-[[[5-(cyclopropylcarbamoyl)-2-pyridinyl]amino]methyl]-4-fluorobenzoate
CID 167979420

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(3-cyclopropylprop-2-ynylamino)pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-(3-cyclopropylprop-2-ynylamino)pyridine-3-carboxamide (CID 166293592) is N-cyclopropyl-6-(3-cyclopropylprop-2-ynylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-(3-cyclopropylprop-2-ynylamino)pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-(3-cyclopropylprop-2-ynylamino)pyridine-3-carboxamide is O=C(NC1CC1)c1ccc(NCC#CC2CC2)nc1.
What is the InChIKey of N-cyclopropyl-6-(3-cyclopropylprop-2-ynylamino)pyridine-3-carboxamide?
The InChIKey is QWLZSTJJNIKEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-15(18-13-6-7-13)12-5-8-14(17-10-12)16-9-1-2-11-3-4-11/h5,8,10-11,13H,3-4,6-7,9H2,(H,16,17)(H,18,19).
What are the key properties of N-cyclopropyl-6-(3-cyclopropylprop-2-ynylamino)pyridine-3-carboxamide?
N-cyclopropyl-6-(3-cyclopropylprop-2-ynylamino)pyridine-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(3-cyclopropylprop-2-ynylamino)pyridine-3-carboxamide is sourced from PubChem (CID 166293592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).