(Z)-N-[5-[(4-fluorophenyl)carbamoylamino]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide

C22H19FN4O2 — CID 67494098

IUPAC(Z)-N-[5-[(4-fluorophenyl)carbamoylamino]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide
SMILESCc1ccc(NC(=O)Nc2ccc(F)cc2)cc1NC(=O)/C=C\c1cccnc1
InChIInChI=1S/C22H19FN4O2/c1-15-4-8-19(26-22(29)25-18-9-6-17(23)7-10-18)13-20(15)27-21(28)11-5-16-3-2-12-24-14-16/h2-14H,1H3,(H,27,28)(H2,25,26,29)/b11-5-
InChIKeyMCUCIKDJOKBPOH-WZUFQYTHSA-N
MW390.42 g/mol
LogP4.83
Rot. Bonds5

About (Z)-N-[5-[(4-fluorophenyl)carbamoylamino]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide

(Z)-N-[5-[(4-fluorophenyl)carbamoylamino]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 67494098) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is (Z)-N-[5-[(4-fluorophenyl)carbamoylamino]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[5-[(4-fluorophenyl)carbamoylamino]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID67494098
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name(Z)-N-[5-[(4-fluorophenyl)carbamoylamino]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide
SMILESCc1ccc(NC(=O)Nc2ccc(F)cc2)cc1NC(=O)/C=C\c1cccnc1
InChIInChI=1S/C22H19FN4O2/c1-15-4-8-19(26-22(29)25-18-9-6-17(23)7-10-18)13-20(15)27-21(28)11-5-16-3-2-12-24-14-16/h2-14H,1H3,(H,27,28)(H2,25,26,29)/b11-5-
InChIKeyMCUCIKDJOKBPOH-WZUFQYTHSA-N
XLogP4.83
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-[5-[(3-chloro-4-fluorophenyl)carbamoylamino]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide
CID 67494435
N-[2-methyl-5-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-3-pyridin-3-ylprop-2-enamide
CID 67494118
(Z)-N-(2,5-dimethylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 97376539
N-(3-fluoro-4-methylphenyl)-4-methyl-3-(3-pyridin-3-ylprop-2-enoylamino)benzamide
CID 67494655
N-[4-methyl-3-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 88558688
4-fluoro-N-[4-methyl-3-(3-pyrimidin-5-ylprop-2-enoylamino)phenyl]benzamide
CID 67494450
(E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148193
2-methyl-5-(3-pyridin-3-ylprop-2-enoylamino)benzoic acid
CID 77003813
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-(3-pyridin-3-ylprop-2-enoylamino)benzamide
CID 67494150
4-(bromomethyl)-N-[4-methyl-3-(3-pyridin-3-ylprop-2-enoylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 67494075
N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71899114
3-amino-N-[3-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-4-methylphenyl]propanamide
CID 82034725

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[5-[(4-fluorophenyl)carbamoylamino]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (Z)-N-[5-[(4-fluorophenyl)carbamoylamino]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide (CID 67494098) is (Z)-N-[5-[(4-fluorophenyl)carbamoylamino]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (Z)-N-[5-[(4-fluorophenyl)carbamoylamino]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (Z)-N-[5-[(4-fluorophenyl)carbamoylamino]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide is Cc1ccc(NC(=O)Nc2ccc(F)cc2)cc1NC(=O)/C=C\c1cccnc1.
What is the InChIKey of (Z)-N-[5-[(4-fluorophenyl)carbamoylamino]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is MCUCIKDJOKBPOH-WZUFQYTHSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-15-4-8-19(26-22(29)25-18-9-6-17(23)7-10-18)13-20(15)27-21(28)11-5-16-3-2-12-24-14-16/h2-14H,1H3,(H,27,28)(H2,25,26,29)/b11-5-.
What are the key properties of (Z)-N-[5-[(4-fluorophenyl)carbamoylamino]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide?
(Z)-N-[5-[(4-fluorophenyl)carbamoylamino]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 390.42 g/mol, XLogP of 4.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[5-[(4-fluorophenyl)carbamoylamino]-2-methylphenyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 67494098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).