6-[[(3-fluorophenyl)-phenylmethyl]amino]-N-prop-2-enylpyridine-3-carboxamide

C22H20FN3O — CID 133350466

IUPAC6-[[(3-fluorophenyl)-phenylmethyl]amino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NC(c2ccccc2)c2cccc(F)c2)nc1
InChIInChI=1S/C22H20FN3O/c1-2-13-24-22(27)18-11-12-20(25-15-18)26-21(16-7-4-3-5-8-16)17-9-6-10-19(23)14-17/h2-12,14-15,21H,1,13H2,(H,24,27)(H,25,26)
InChIKeyXUDOTELNCUBCTB-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.34
Rot. Bonds7

About 6-[[(3-fluorophenyl)-phenylmethyl]amino]-N-prop-2-enylpyridine-3-carboxamide

6-[[(3-fluorophenyl)-phenylmethyl]amino]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 133350466) has the molecular formula C22H20FN3O and a molecular weight of 361.42 g/mol. Its IUPAC name is 6-[[(3-fluorophenyl)-phenylmethyl]amino]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(3-fluorophenyl)-phenylmethyl]amino]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID133350466
Molecular FormulaC22H20FN3O
Molecular Weight361.42 g/mol
Exact Mass361.16
IUPAC Name6-[[(3-fluorophenyl)-phenylmethyl]amino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NC(c2ccccc2)c2cccc(F)c2)nc1
InChIInChI=1S/C22H20FN3O/c1-2-13-24-22(27)18-11-12-20(25-15-18)26-21(16-7-4-3-5-8-16)17-9-6-10-19(23)14-17/h2-12,14-15,21H,1,13H2,(H,24,27)(H,25,26)
InChIKeyXUDOTELNCUBCTB-UHFFFAOYSA-N
XLogP4.34
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-phenyl-N-prop-2-enylpyridine-3-carboxamide
CID 110683620
6-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133351553
4-N-(3-fluorophenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043611
6-[1-[5-fluoro-2-(4-hydroxypiperidin-1-yl)phenyl]ethylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 133454326
N-[2-(4-fluorophenyl)ethyl]-6-(prop-2-enylamino)pyridine-3-carboxamide
CID 109151422
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560
6-(2-phenoxyanilino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151538
6-[1-(2-propan-2-yl-1,3-thiazol-4-yl)ethylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 133346231
N-ethyl-6-[[(3-methylphenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxamide
CID 133414835
6-[(2-hydroxy-3,3-dimethylbutyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133302745
6-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 75374086
1-[(S)-(3-fluorophenyl)-pyridin-2-ylmethyl]-1-methyl-3-prop-2-enylurea
CID 95330331

Frequently Asked Questions

What is the IUPAC name of 6-[[(3-fluorophenyl)-phenylmethyl]amino]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-[[(3-fluorophenyl)-phenylmethyl]amino]-N-prop-2-enylpyridine-3-carboxamide (CID 133350466) is 6-[[(3-fluorophenyl)-phenylmethyl]amino]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[(3-fluorophenyl)-phenylmethyl]amino]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-[[(3-fluorophenyl)-phenylmethyl]amino]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(NC(c2ccccc2)c2cccc(F)c2)nc1.
What is the InChIKey of 6-[[(3-fluorophenyl)-phenylmethyl]amino]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is XUDOTELNCUBCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O/c1-2-13-24-22(27)18-11-12-20(25-15-18)26-21(16-7-4-3-5-8-16)17-9-6-10-19(23)14-17/h2-12,14-15,21H,1,13H2,(H,24,27)(H,25,26).
What are the key properties of 6-[[(3-fluorophenyl)-phenylmethyl]amino]-N-prop-2-enylpyridine-3-carboxamide?
6-[[(3-fluorophenyl)-phenylmethyl]amino]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3-fluorophenyl)-phenylmethyl]amino]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 133350466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).