N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide

C19H21F2N3O2 — CID 127726661

IUPACN-cyclopentyl-N-[(2,5-difluorophenyl)methyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide
SMILESCc1nc(C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)c(=O)[nH]c1C
InChIInChI=1S/C19H21F2N3O2/c1-11-12(2)23-18(25)17(22-11)19(26)24(15-5-3-4-6-15)10-13-9-14(20)7-8-16(13)21/h7-9,15H,3-6,10H2,1-2H3,(H,23,25)
InChIKeyBSGYBUTYGHUGHT-UHFFFAOYSA-N
MW361.39 g/mol
LogP3.25
Rot. Bonds4

About N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide

N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide (PubChem CID 127726661) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(2,5-difluorophenyl)methyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide
PubChem CID127726661
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC NameN-cyclopentyl-N-[(2,5-difluorophenyl)methyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide
SMILESCc1nc(C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)c(=O)[nH]c1C
InChIInChI=1S/C19H21F2N3O2/c1-11-12(2)23-18(25)17(22-11)19(26)24(15-5-3-4-6-15)10-13-9-14(20)7-8-16(13)21/h7-9,15H,3-6,10H2,1-2H3,(H,23,25)
InChIKeyBSGYBUTYGHUGHT-UHFFFAOYSA-N
XLogP3.25
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pyrimidine-5-carboxamide
CID 126795222
N-cyclopentyl-4-fluoro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3194140
4-amino-N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]pentanamide;hydrochloride
CID 120563897
N-[[5-amino-2-(dimethylamino)phenyl]methyl]-N-cyclohexyl-4-fluorobenzamide
CID 42815503
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2,4-difluorobenzamide
CID 33078367
3-chloro-N-cyclohexyl-6-fluoro-N-[(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]-1-benzothiophene-2-carboxamide
CID 3194329
N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-cyclopentyl-4-fluorobenzamide
CID 92762384
N-cyclopentyl-N-[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-2-methoxybenzamide
CID 3194019
N-(2-bromoethyl)-N-[(2,5-difluorophenyl)methyl]cyclopentanamine
CID 80672624
3-(2,5-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide
CID 119443603
N-(2-chloroethyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 63391286
1-cyclopentyl-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-fluorophenyl)urea
CID 1430901

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide (CID 127726661) is N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide is Cc1nc(C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)c(=O)[nH]c1C.
What is the InChIKey of N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is BSGYBUTYGHUGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-11-12(2)23-18(25)17(22-11)19(26)24(15-5-3-4-6-15)10-13-9-14(20)7-8-16(13)21/h7-9,15H,3-6,10H2,1-2H3,(H,23,25).
What are the key properties of N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide?
N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 361.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(2,5-difluorophenyl)methyl]-5,6-dimethyl-2-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 127726661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).