N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide

C25H28N4O2 — CID 58973371

IUPACN-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCCCC2)c2ccccc12
InChIInChI=1S/C25H28N4O2/c1-2-18-12-13-21(20-11-7-6-10-19(18)20)24(30)29-23-22(26-14-15-27-23)25(31)28-16-17-8-4-3-5-9-17/h6-7,10-15,17H,2-5,8-9,16H2,1H3,(H,28,31)(H,27,29,30)
InChIKeyXVXSCGILKDLJDI-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.75
Rot. Bonds6

About N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide

N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide (PubChem CID 58973371) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide
PubChem CID58973371
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide
SMILESCCc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCCCC2)c2ccccc12
InChIInChI=1S/C25H28N4O2/c1-2-18-12-13-21(20-11-7-6-10-19(18)20)24(30)29-23-22(26-14-15-27-23)25(31)28-16-17-8-4-3-5-9-17/h6-7,10-15,17H,2-5,8-9,16H2,1H3,(H,28,31)(H,27,29,30)
InChIKeyXVXSCGILKDLJDI-UHFFFAOYSA-N
XLogP4.75
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.75
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;methyl 3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxylate
CID 158184406
N-(cyclobutylmethyl)-3-[(4-methylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide
CID 11552525
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
3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)pyridine-2-carboxamide
CID 143144363
[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
N-(cyclobutylmethyl)-3-[[4-[[4-[(dimethylamino)methyl]triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 16736362
3-[[4-(hydroxymethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide;4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid
CID 162066010
3-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-N-(cyclohexylmethyl)-6-propoxypyridine-2-carboxamide
CID 143144400
N-(cyclobutylmethyl)-3-[[4-[[4-(trifluoromethyl)triazol-1-yl]methyl]naphthalene-1-carbonyl]amino]pyridine-2-carboxamide
CID 16735933
[4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalen-1-yl]carbamic acid
CID 69366219
ethane;methyl 2-[[5-[[4-[[amino-[(Z)-2-aminoethenyl]amino]methyl]naphthalene-1-carbonyl]amino]-6-(cyclohexylmethylcarbamoyl)-2-pyridinyl]oxy]acetate
CID 143467864

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide (CID 58973371) is N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide is CCc1ccc(C(=O)Nc2nccnc2C(=O)NCC2CCCCC2)c2ccccc12.
What is the InChIKey of N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide?
The InChIKey is XVXSCGILKDLJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-2-18-12-13-21(20-11-7-6-10-19(18)20)24(30)29-23-22(26-14-15-27-23)25(31)28-16-17-8-4-3-5-9-17/h6-7,10-15,17H,2-5,8-9,16H2,1H3,(H,28,31)(H,27,29,30).
What are the key properties of N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide?
N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-[(4-ethylnaphthalene-1-carbonyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 58973371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).