N-cyclopentyl-2,3-difluoro-N-prop-2-enylpyridine-4-carboxamide

C14H16F2N2O — CID 105380891

IUPACN-cyclopentyl-2,3-difluoro-N-prop-2-enylpyridine-4-carboxamide
SMILESC=CCN(C(=O)c1ccnc(F)c1F)C1CCCC1
InChIInChI=1S/C14H16F2N2O/c1-2-9-18(10-5-3-4-6-10)14(19)11-7-8-17-13(16)12(11)15/h2,7-8,10H,1,3-6,9H2
InChIKeyBQYIRUMHLGKXRZ-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.93
Rot. Bonds4

About N-cyclopentyl-2,3-difluoro-N-prop-2-enylpyridine-4-carboxamide

N-cyclopentyl-2,3-difluoro-N-prop-2-enylpyridine-4-carboxamide (PubChem CID 105380891) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is N-cyclopentyl-2,3-difluoro-N-prop-2-enylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2,3-difluoro-N-prop-2-enylpyridine-4-carboxamide
PubChem CID105380891
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC NameN-cyclopentyl-2,3-difluoro-N-prop-2-enylpyridine-4-carboxamide
SMILESC=CCN(C(=O)c1ccnc(F)c1F)C1CCCC1
InChIInChI=1S/C14H16F2N2O/c1-2-9-18(10-5-3-4-6-10)14(19)11-7-8-17-13(16)12(11)15/h2,7-8,10H,1,3-6,9H2
InChIKeyBQYIRUMHLGKXRZ-UHFFFAOYSA-N
XLogP2.93
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-Diethylnicotinamide
CID 5497
Isonicotinamide
CID 15074
4-Pyridinecarboxylic acid, 2-cyclopentylidenehydrazide
CID 199574
N,N-Diethylisonicotinamide
CID 10735
1-(4-Pyridinyl)-1-propanone
CID 74343
(4,5-Dihydro-5-phenyl-1H-pyrazol-1-yl)-4-pyridinylmethanone
CID 3078469
N-(4-fluorobenzyl)isonicotinamide
CID 882119
N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 1247370
N-(1-Phenylethyl)-4-pyridinecarboxamide
CID 3111420
4-Carbamoyl-1-hexadecyl-pyridinium
CID 11979277
1-(3-Methylpyridin-4-yl)ethan-1-one
CID 14863276
1-(Pyridine-4-carbonyl)piperazine
CID 876553

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2,3-difluoro-N-prop-2-enylpyridine-4-carboxamide?
The IUPAC name of N-cyclopentyl-2,3-difluoro-N-prop-2-enylpyridine-4-carboxamide (CID 105380891) is N-cyclopentyl-2,3-difluoro-N-prop-2-enylpyridine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-2,3-difluoro-N-prop-2-enylpyridine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-2,3-difluoro-N-prop-2-enylpyridine-4-carboxamide is C=CCN(C(=O)c1ccnc(F)c1F)C1CCCC1.
What is the InChIKey of N-cyclopentyl-2,3-difluoro-N-prop-2-enylpyridine-4-carboxamide?
The InChIKey is BQYIRUMHLGKXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-2-9-18(10-5-3-4-6-10)14(19)11-7-8-17-13(16)12(11)15/h2,7-8,10H,1,3-6,9H2.
What are the key properties of N-cyclopentyl-2,3-difluoro-N-prop-2-enylpyridine-4-carboxamide?
N-cyclopentyl-2,3-difluoro-N-prop-2-enylpyridine-4-carboxamide has a molecular weight of 266.29 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2,3-difluoro-N-prop-2-enylpyridine-4-carboxamide is sourced from PubChem (CID 105380891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).