6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide

C15H23N3O2 — CID 133302745

IUPAC6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NCC(O)C(C)(C)C)nc1
InChIInChI=1S/C15H23N3O2/c1-5-8-16-14(20)11-6-7-13(17-9-11)18-10-12(19)15(2,3)4/h5-7,9,12,19H,1,8,10H2,2-4H3,(H,16,20)(H,17,18)
InChIKeyVPRCBUZOSFJIFQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.82
Rot. Bonds6

About 6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide

6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 133302745) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID133302745
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NCC(O)C(C)(C)C)nc1
InChIInChI=1S/C15H23N3O2/c1-5-8-16-14(20)11-6-7-13(17-9-11)18-10-12(19)15(2,3)4/h5-7,9,12,19H,1,8,10H2,2-4H3,(H,16,20)(H,17,18)
InChIKeyVPRCBUZOSFJIFQ-UHFFFAOYSA-N
XLogP1.82
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(2-cyclopentyl-2-hydroxyethyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133306917
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N,N-dimethylpyridine-3-carboxamide
CID 133302747
6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133351553
6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151510
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560
6-[[2-(3-chlorophenyl)-2-hydroxypropyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133472944
6-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 133345456
methyl 4-[[6-(prop-2-enylamino)pyridine-3-carbonyl]amino]benzoate
CID 109151459
6-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 133444836
6-phenyl-N-prop-2-enylpyridine-3-carboxamide
CID 110683620
N-(2-hydroxy-3,3-dimethylbutyl)-6-[(2-methylpropan-2-yl)oxy]pyridine-3-carboxamide
CID 110000209
6-[[3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 71875696

Frequently Asked Questions

What is the IUPAC name of 6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide (CID 133302745) is 6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(NCC(O)C(C)(C)C)nc1.
What is the InChIKey of 6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is VPRCBUZOSFJIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-5-8-16-14(20)11-6-7-13(17-9-11)18-10-12(19)15(2,3)4/h5-7,9,12,19H,1,8,10H2,2-4H3,(H,16,20)(H,17,18).
What are the key properties of 6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide?
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 133302745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).