N-[(4-fluorophenyl)methyl]-N-prop-2-ynylpyridine-4-carboxamide

C16H13FN2O — CID 52780863

IUPACN-[(4-fluorophenyl)methyl]-N-prop-2-ynylpyridine-4-carboxamide
SMILESC#CCN(Cc1ccc(F)cc1)C(=O)c1ccncc1
InChIInChI=1S/C16H13FN2O/c1-2-11-19(12-13-3-5-15(17)6-4-13)16(20)14-7-9-18-10-8-14/h1,3-10H,11-12H2
InChIKeyJWRJJNSNBRVFQM-UHFFFAOYSA-N
MW268.29 g/mol
LogP2.50
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N-prop-2-ynylpyridine-4-carboxamide

N-[(4-fluorophenyl)methyl]-N-prop-2-ynylpyridine-4-carboxamide (PubChem CID 52780863) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-prop-2-ynylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-prop-2-ynylpyridine-4-carboxamide
PubChem CID52780863
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC NameN-[(4-fluorophenyl)methyl]-N-prop-2-ynylpyridine-4-carboxamide
SMILESC#CCN(Cc1ccc(F)cc1)C(=O)c1ccncc1
InChIInChI=1S/C16H13FN2O/c1-2-11-19(12-13-3-5-15(17)6-4-13)16(20)14-7-9-18-10-8-14/h1,3-10H,11-12H2
InChIKeyJWRJJNSNBRVFQM-UHFFFAOYSA-N
XLogP2.50
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-triethoxy-N-[(4-fluorophenyl)methyl]-N-prop-2-ynylbenzamide
CID 52780861
1-[(4-fluorophenyl)methyl]-3-[(2-methylpyrimidin-4-yl)methyl]-1-prop-2-ynylurea
CID 51097336
1-[(4-fluorophenyl)methyl]-3-[2-(4-prop-2-ynoxyphenyl)ethyl]-1-prop-2-ynylurea
CID 86875434
1-[(4-fluorophenyl)methyl]-1-prop-2-ynyl-3-(1H-pyrazol-4-yl)urea
CID 47465257
N-[(4-fluorophenyl)methyl]-2-(1-hydroxycyclohexyl)-N-prop-2-ynylacetamide
CID 111332009
N,N-bis(prop-2-ynyl)benzamide
CID 11790147
tert-butyl N-[4-[(4-fluorophenyl)methyl-prop-2-ynylamino]-4-oxobutyl]carbamate
CID 52782573
N-[(6-chloro-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-[(4-fluorophenyl)methyl]pyridine-4-carboxamide
CID 1460041
N-[(4-methylphenyl)methyl]-N-prop-2-ynyl-3-(trifluoromethyl)benzamide
CID 52763877
2-[[methyl(pyridin-4-ylmethyl)carbamoyl]-prop-2-ynylamino]acetic acid
CID 79284114
N-[4-(4-fluorophenyl)butyl]pyridine-4-carboxamide
CID 84505391
1-(4-fluorophenyl)-3-pyridin-4-ylpropan-2-one
CID 62551750

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-prop-2-ynylpyridine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-prop-2-ynylpyridine-4-carboxamide (CID 52780863) is N-[(4-fluorophenyl)methyl]-N-prop-2-ynylpyridine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-prop-2-ynylpyridine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-prop-2-ynylpyridine-4-carboxamide is C#CCN(Cc1ccc(F)cc1)C(=O)c1ccncc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-prop-2-ynylpyridine-4-carboxamide?
The InChIKey is JWRJJNSNBRVFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-2-11-19(12-13-3-5-15(17)6-4-13)16(20)14-7-9-18-10-8-14/h1,3-10H,11-12H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-prop-2-ynylpyridine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-N-prop-2-ynylpyridine-4-carboxamide has a molecular weight of 268.29 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-prop-2-ynylpyridine-4-carboxamide is sourced from PubChem (CID 52780863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).