6-[(2-cyclopropyloxan-4-yl)amino]-N-prop-2-enylpyridine-3-carboxamide

C17H23N3O2 — CID 133473407

IUPAC6-[(2-cyclopropyloxan-4-yl)amino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NC2CCOC(C3CC3)C2)nc1
InChIInChI=1S/C17H23N3O2/c1-2-8-18-17(21)13-5-6-16(19-11-13)20-14-7-9-22-15(10-14)12-3-4-12/h2,5-6,11-12,14-15H,1,3-4,7-10H2,(H,18,21)(H,19,20)
InChIKeyLCBVFQSVLLJAAM-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.37
Rot. Bonds6

About 6-[(2-cyclopropyloxan-4-yl)amino]-N-prop-2-enylpyridine-3-carboxamide

6-[(2-cyclopropyloxan-4-yl)amino]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 133473407) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-[(2-cyclopropyloxan-4-yl)amino]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-cyclopropyloxan-4-yl)amino]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID133473407
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name6-[(2-cyclopropyloxan-4-yl)amino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NC2CCOC(C3CC3)C2)nc1
InChIInChI=1S/C17H23N3O2/c1-2-8-18-17(21)13-5-6-16(19-11-13)20-14-7-9-22-15(10-14)12-3-4-12/h2,5-6,11-12,14-15H,1,3-4,7-10H2,(H,18,21)(H,19,20)
InChIKeyLCBVFQSVLLJAAM-UHFFFAOYSA-N
XLogP2.37
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 97017820
6-[[3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 71875696
6-[(2-cyclopentyl-2-hydroxyethyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133306917
6-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 97022282
N-prop-2-enyl-6-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]amino]pyridine-3-carboxamide
CID 96566222
6-[(2-ethylsulfanylcyclopentyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133378451
N-(2-cyclopropyloxan-4-yl)pyridin-2-amine
CID 133473667
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560
6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,4-difluorophenyl)pyridine-3-sulfonamide
CID 133473497
6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151510
6-[(2-cyclopropyloxan-4-yl)amino]-N-(3,5-difluorophenyl)pyridine-3-sulfonamide
CID 133473678
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133302745

Frequently Asked Questions

What is the IUPAC name of 6-[(2-cyclopropyloxan-4-yl)amino]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-[(2-cyclopropyloxan-4-yl)amino]-N-prop-2-enylpyridine-3-carboxamide (CID 133473407) is 6-[(2-cyclopropyloxan-4-yl)amino]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-cyclopropyloxan-4-yl)amino]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-[(2-cyclopropyloxan-4-yl)amino]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(NC2CCOC(C3CC3)C2)nc1.
What is the InChIKey of 6-[(2-cyclopropyloxan-4-yl)amino]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is LCBVFQSVLLJAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-8-18-17(21)13-5-6-16(19-11-13)20-14-7-9-22-15(10-14)12-3-4-12/h2,5-6,11-12,14-15H,1,3-4,7-10H2,(H,18,21)(H,19,20).
What are the key properties of 6-[(2-cyclopropyloxan-4-yl)amino]-N-prop-2-enylpyridine-3-carboxamide?
6-[(2-cyclopropyloxan-4-yl)amino]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-cyclopropyloxan-4-yl)amino]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 133473407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).