N-[1-(4-fluorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide

C21H19FN4O2 — CID 53166520

IUPACN-[1-(4-fluorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nccnc2C(=O)NC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H19FN4O2/c1-13-3-5-16(6-4-13)20(27)26-19-18(23-11-12-24-19)21(28)25-14(2)15-7-9-17(22)10-8-15/h3-12,14H,1-2H3,(H,25,28)(H,24,26,27)
InChIKeyBGQVCBMPGGNJMJ-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.67
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide

N-[1-(4-fluorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide (PubChem CID 53166520) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide
PubChem CID53166520
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nccnc2C(=O)NC(C)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H19FN4O2/c1-13-3-5-16(6-4-13)20(27)26-19-18(23-11-12-24-19)21(28)25-14(2)15-7-9-17(22)10-8-15/h3-12,14H,1-2H3,(H,25,28)(H,24,26,27)
InChIKeyBGQVCBMPGGNJMJ-UHFFFAOYSA-N
XLogP3.67
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methylbenzoyl)amino]-N-[(1R)-1-phenylethyl]pyrazine-2-carboxamide
CID 95101240
6-(4-fluorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 93070978
3-[(4-propan-2-ylbenzoyl)amino]pyrazine-2-carboxylic acid
CID 63262062
4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 95087279
N-cyclopentyl-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide
CID 53166495
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
4-(3-chloro-2-pyridinyl)-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 59672700
4-(carbamoylamino)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 2454749
N-(3-hydroxy-2-pyridinyl)-4-methylbenzamide
CID 25342946
N-[1-(4-fluorophenyl)ethyl]-4-(prop-2-enoylamino)benzamide
CID 175156198
3-[(4-fluorobenzoyl)amino]-N-piperidin-4-ylpyrazine-2-carboxamide
CID 42853833

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide (CID 53166520) is N-[1-(4-fluorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide is Cc1ccc(C(=O)Nc2nccnc2C(=O)NC(C)c2ccc(F)cc2)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide?
The InChIKey is BGQVCBMPGGNJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-13-3-5-16(6-4-13)20(27)26-19-18(23-11-12-24-19)21(28)25-14(2)15-7-9-17(22)10-8-15/h3-12,14H,1-2H3,(H,25,28)(H,24,26,27).
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide?
N-[1-(4-fluorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-3-[(4-methylbenzoyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 53166520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).