N-(cyclobutylmethyl)-3-[(4-methylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide

C22H22N4O2 — CID 11552525

IUPACN-(cyclobutylmethyl)-3-[(4-methylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCC2)c2ccccc12
InChIInChI=1S/C22H22N4O2/c1-14-9-10-18(17-8-3-2-7-16(14)17)21(27)26-20-19(23-11-12-24-20)22(28)25-13-15-5-4-6-15/h2-3,7-12,15H,4-6,13H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyZMINVFQOJQGSHJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.72
Rot. Bonds5

About N-(cyclobutylmethyl)-3-[(4-methylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide

N-(cyclobutylmethyl)-3-[(4-methylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide (PubChem CID 11552525) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-[(4-methylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-[(4-methylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide
PubChem CID11552525
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(cyclobutylmethyl)-3-[(4-methylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide
SMILESCc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCC2)c2ccccc12
InChIInChI=1S/C22H22N4O2/c1-14-9-10-18(17-8-3-2-7-16(14)17)21(27)26-20-19(23-11-12-24-20)22(28)25-13-15-5-4-6-15/h2-3,7-12,15H,4-6,13H2,1H3,(H,25,28)(H,24,26,27)
InChIKeyZMINVFQOJQGSHJ-UHFFFAOYSA-N
XLogP3.72
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide
CID 58973371
N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide;methyl 3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate
CID 158184406
3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(oxan-4-ylmethyl)pyrazine-2-carboxamide;N-(oxan-4-ylmethyl)-3-[[4-(triazol-1-ylmethyl)naphthalene-1-carbonyl]amino]pyrazine-2-carboxamide
CID 159712306
N-(cyclobutylmethyl)-1-hydroxy-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridin-1-ium-2-carboxamide
CID 143144244
N-cyclohexyloxy-3-[(4-methylnaphthalene-1-carbonyl)amino]pyridine-2-carboxamide
CID 11697052
[4-[[2-(cyclobutylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalen-1-yl]methyl methanesulfonate;N-(cyclobutylmethyl)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 159665617
N-(cyclohexylmethyl)isoquinoline-1-carboxamide
CID 1438626
[4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalen-1-yl]carbamic acid
CID 69366219
3-[(4-methylnaphthalene-1-carbonyl)amino]-N-[(1-methylpiperidin-2-yl)methyl]pyridine-2-carboxamide;3-[(4-methylnaphthalene-1-carbonyl)amino]-N-(piperidin-2-ylmethyl)pyridine-2-carboxamide
CID 159501246
ethane;methyl 3-[(4-methoxynaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate
CID 143144401
N-(cyclobutylmethyl)-3-[[4-[[4-[(dimethylamino)methyl]triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 16736362
3-amino-N-(cyclobutylmethyl)pyrazine-2-carboxamide
CID 38654065

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-[(4-methylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-(cyclobutylmethyl)-3-[(4-methylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide (CID 11552525) is N-(cyclobutylmethyl)-3-[(4-methylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-[(4-methylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-[(4-methylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide is Cc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCC2)c2ccccc12.
What is the InChIKey of N-(cyclobutylmethyl)-3-[(4-methylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide?
The InChIKey is ZMINVFQOJQGSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-9-10-18(17-8-3-2-7-16(14)17)21(27)26-20-19(23-11-12-24-20)22(28)25-13-15-5-4-6-15/h2-3,7-12,15H,4-6,13H2,1H3,(H,25,28)(H,24,26,27).
What are the key properties of N-(cyclobutylmethyl)-3-[(4-methylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide?
N-(cyclobutylmethyl)-3-[(4-methylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-[(4-methylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 11552525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).