2-N-(4-aminocyclohexyl)-3-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide

C18H20ClN5O2 — CID 119478351

IUPAC2-N-(4-aminocyclohexyl)-3-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide
SMILESNC1CCC(NC(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H20ClN5O2/c19-11-1-5-13(6-2-11)23-17(25)15-16(22-10-9-21-15)18(26)24-14-7-3-12(20)4-8-14/h1-2,5-6,9-10,12,14H,3-4,7-8,20H2,(H,23,25)(H,24,26)
InChIKeyYZSMFXOIESAGKQ-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.38
Rot. Bonds4

About 2-N-(4-aminocyclohexyl)-3-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide

2-N-(4-aminocyclohexyl)-3-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide (PubChem CID 119478351) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)-3-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-aminocyclohexyl)-3-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide
PubChem CID119478351
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name2-N-(4-aminocyclohexyl)-3-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide
SMILESNC1CCC(NC(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H20ClN5O2/c19-11-1-5-13(6-2-11)23-17(25)15-16(22-10-9-21-15)18(26)24-14-7-3-12(20)4-8-14/h1-2,5-6,9-10,12,14H,3-4,7-8,20H2,(H,23,25)(H,24,26)
InChIKeyYZSMFXOIESAGKQ-UHFFFAOYSA-N
XLogP2.38
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-(4-chlorophenyl)pyrazine-2-carboxamide;hydrochloride
CID 119412850
3-amino-N-(4-aminocyclohexyl)pyrazine-2-carboxamide;dihydrochloride
CID 119474422
N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
CID 86277368
N-(4-chlorophenyl)-3-(cyclopropylmethylamino)pyrazine-2-carboxamide
CID 122516746
4-N-(4-chlorophenyl)-1-N-cyclopentylbenzene-1,4-dicarboxamide
CID 109044491
3-N-(4-chlorophenyl)-2-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazine-2,3-dicarboxamide
CID 120947355
N-(4-chlorophenyl)-3-[(2S)-1-methylpyrrolidin-2-yl]pyrazine-2-carboxamide
CID 124985334
N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide
CID 62313125
1-N-(4-chlorophenyl)-3-N-cycloheptylbenzene-1,3-dicarboxamide
CID 109056113
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
N-(4-aminocyclohexyl)-2,6-dichlorobenzamide
CID 62313124
3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide
CID 59799292

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)-3-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide?
The IUPAC name of 2-N-(4-aminocyclohexyl)-3-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide (CID 119478351) is 2-N-(4-aminocyclohexyl)-3-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide.
What is the SMILES notation for 2-N-(4-aminocyclohexyl)-3-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide?
The canonical SMILES for 2-N-(4-aminocyclohexyl)-3-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide is NC1CCC(NC(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-N-(4-aminocyclohexyl)-3-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide?
The InChIKey is YZSMFXOIESAGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2/c19-11-1-5-13(6-2-11)23-17(25)15-16(22-10-9-21-15)18(26)24-14-7-3-12(20)4-8-14/h1-2,5-6,9-10,12,14H,3-4,7-8,20H2,(H,23,25)(H,24,26).
What are the key properties of 2-N-(4-aminocyclohexyl)-3-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide?
2-N-(4-aminocyclohexyl)-3-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide has a molecular weight of 373.84 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminocyclohexyl)-3-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide is sourced from PubChem (CID 119478351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).