3-N-(1-aminohexan-2-yl)-2-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide

C18H22ClN5O2 — CID 119668146

IUPAC3-N-(1-aminohexan-2-yl)-2-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide
SMILESCCCCC(CN)NC(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN5O2/c1-2-3-4-14(11-20)24-18(26)16-15(21-9-10-22-16)17(25)23-13-7-5-12(19)6-8-13/h5-10,14H,2-4,11,20H2,1H3,(H,23,25)(H,24,26)
InChIKeyZQPLPDARUNTNIU-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.63
Rot. Bonds8

About 3-N-(1-aminohexan-2-yl)-2-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide

3-N-(1-aminohexan-2-yl)-2-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide (PubChem CID 119668146) has the molecular formula C18H22ClN5O2 and a molecular weight of 375.86 g/mol. Its IUPAC name is 3-N-(1-aminohexan-2-yl)-2-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1-aminohexan-2-yl)-2-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide
PubChem CID119668146
Molecular FormulaC18H22ClN5O2
Molecular Weight375.86 g/mol
Exact Mass375.15
IUPAC Name3-N-(1-aminohexan-2-yl)-2-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide
SMILESCCCCC(CN)NC(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C18H22ClN5O2/c1-2-3-4-14(11-20)24-18(26)16-15(21-9-10-22-16)17(25)23-13-7-5-12(19)6-8-13/h5-10,14H,2-4,11,20H2,1H3,(H,23,25)(H,24,26)
InChIKeyZQPLPDARUNTNIU-UHFFFAOYSA-N
XLogP2.63
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 119665363
N-(1-aminohexan-2-yl)-2-chloro-5-(2-methylpropanoylamino)benzamide
CID 119668857
1-(1-aminohexan-2-yl)-3-(3,4-dichlorophenyl)urea
CID 80697374
N-(1-aminohexan-2-yl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119665126
N-(1-aminohexan-2-yl)-3-chlorobenzamide;hydrochloride
CID 119667644
3-N-(5-chloro-2-pyridinyl)-2-N-[4-(propylamino)phenyl]pyrazine-2,3-dicarboxamide
CID 59799292
N-[1-(1-aminohexan-2-ylamino)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119668459
N-(1-aminohexan-2-yl)-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119668361
2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
N-(1-aminohexan-2-yl)-2,4-difluorobenzamide
CID 80698461
N-(1-aminohexan-2-yl)-2,6-dimethylpyridine-3-carboxamide;dihydrochloride
CID 119667886
N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide
CID 113265964

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-aminohexan-2-yl)-2-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide?
The IUPAC name of 3-N-(1-aminohexan-2-yl)-2-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide (CID 119668146) is 3-N-(1-aminohexan-2-yl)-2-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide.
What is the SMILES notation for 3-N-(1-aminohexan-2-yl)-2-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide?
The canonical SMILES for 3-N-(1-aminohexan-2-yl)-2-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide is CCCCC(CN)NC(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 3-N-(1-aminohexan-2-yl)-2-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide?
The InChIKey is ZQPLPDARUNTNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2/c1-2-3-4-14(11-20)24-18(26)16-15(21-9-10-22-16)17(25)23-13-7-5-12(19)6-8-13/h5-10,14H,2-4,11,20H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-N-(1-aminohexan-2-yl)-2-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide?
3-N-(1-aminohexan-2-yl)-2-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide has a molecular weight of 375.86 g/mol, XLogP of 2.63, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-aminohexan-2-yl)-2-N-(4-chlorophenyl)pyrazine-2,3-dicarboxamide is sourced from PubChem (CID 119668146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).