2-(2,4-difluoroanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide

C18H17F2N3O — CID 118394249

IUPAC2-(2,4-difluoroanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide
SMILESC#C[C@@](C)(CC)NC(=O)c1cccnc1Nc1ccc(F)cc1F
InChIInChI=1S/C18H17F2N3O/c1-4-18(3,5-2)23-17(24)13-7-6-10-21-16(13)22-15-9-8-12(19)11-14(15)20/h1,6-11H,5H2,2-3H3,(H,21,22)(H,23,24)/t18-/m0/s1
InChIKeyXIADOLUDZPWUJB-SFHVURJKSA-N
MW329.35 g/mol
LogP3.64
Rot. Bonds5

About 2-(2,4-difluoroanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide

2-(2,4-difluoroanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide (PubChem CID 118394249) has the molecular formula C18H17F2N3O and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-(2,4-difluoroanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluoroanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide
PubChem CID118394249
Molecular FormulaC18H17F2N3O
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name2-(2,4-difluoroanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide
SMILESC#C[C@@](C)(CC)NC(=O)c1cccnc1Nc1ccc(F)cc1F
InChIInChI=1S/C18H17F2N3O/c1-4-18(3,5-2)23-17(24)13-7-6-10-21-16(13)22-15-9-8-12(19)11-14(15)20/h1,6-11H,5H2,2-3H3,(H,21,22)(H,23,24)/t18-/m0/s1
InChIKeyXIADOLUDZPWUJB-SFHVURJKSA-N
XLogP3.64
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.64
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

2-(2-fluoroanilino)-N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide
CID 90093021
2-(3-chloro-4-methoxyanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide
CID 118394246
N-(2,4-difluorophenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62165523
5-fluoro-2-(3-methoxyanilino)-N-[(3S)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide
CID 118392722
4-fluoro-N-(3-methylpent-1-yn-3-yl)benzamide
CID 3916831
N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 119625766
methyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate
CID 134008874
2-(ethylamino)-N-(2-fluoro-4-methylphenyl)pyridine-3-carboxamide
CID 62185386
N-(2-bromo-4-fluorophenyl)-2-(propylamino)pyridine-3-carboxamide
CID 62166982
N-(2-bromo-5-fluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 107631593
N-(4-bromo-2,5-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 107616528
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 62229094

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoroanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-(2,4-difluoroanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide (CID 118394249) is 2-(2,4-difluoroanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,4-difluoroanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2,4-difluoroanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide is C#C[C@@](C)(CC)NC(=O)c1cccnc1Nc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluoroanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide?
The InChIKey is XIADOLUDZPWUJB-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17F2N3O/c1-4-18(3,5-2)23-17(24)13-7-6-10-21-16(13)22-15-9-8-12(19)11-14(15)20/h1,6-11H,5H2,2-3H3,(H,21,22)(H,23,24)/t18-/m0/s1.
What are the key properties of 2-(2,4-difluoroanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide?
2-(2,4-difluoroanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide has a molecular weight of 329.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoroanilino)-N-[(3R)-3-methylpent-1-yn-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 118394249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).