N-benzyl-5-(cyclohexylamino)-N-propan-2-ylpyrazine-2-carboxamide

C21H28N4O — CID 109274885

IUPACN-benzyl-5-(cyclohexylamino)-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cnc(NC2CCCCC2)cn1
InChIInChI=1S/C21H28N4O/c1-16(2)25(15-17-9-5-3-6-10-17)21(26)19-13-23-20(14-22-19)24-18-11-7-4-8-12-18/h3,5-6,9-10,13-14,16,18H,4,7-8,11-12,15H2,1-2H3,(H,23,24)
InChIKeyDSRPNWVASMQFCG-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.27
Rot. Bonds6

About N-benzyl-5-(cyclohexylamino)-N-propan-2-ylpyrazine-2-carboxamide

N-benzyl-5-(cyclohexylamino)-N-propan-2-ylpyrazine-2-carboxamide (PubChem CID 109274885) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-benzyl-5-(cyclohexylamino)-N-propan-2-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(cyclohexylamino)-N-propan-2-ylpyrazine-2-carboxamide
PubChem CID109274885
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-benzyl-5-(cyclohexylamino)-N-propan-2-ylpyrazine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cnc(NC2CCCCC2)cn1
InChIInChI=1S/C21H28N4O/c1-16(2)25(15-17-9-5-3-6-10-17)21(26)19-13-23-20(14-22-19)24-18-11-7-4-8-12-18/h3,5-6,9-10,13-14,16,18H,4,7-8,11-12,15H2,1-2H3,(H,23,24)
InChIKeyDSRPNWVASMQFCG-UHFFFAOYSA-N
XLogP4.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-5-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109195349
N-benzyl-4-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217127
N-benzyl-N-propan-2-yl-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272218
N-benzyl-6-(cyclopropylamino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360842
N-benzyl-N-propan-2-yl-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109287676
N-benzyl-5-(2-chloroanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109287680
5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide
CID 109287695
N-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide
CID 103817103
N-benzyl-5-(2,3-dimethylanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109287672
5-(cycloheptylamino)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272801
N-benzyl-5-(oxolan-2-ylmethylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109185160
5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109279992

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(cyclohexylamino)-N-propan-2-ylpyrazine-2-carboxamide?
The IUPAC name of N-benzyl-5-(cyclohexylamino)-N-propan-2-ylpyrazine-2-carboxamide (CID 109274885) is N-benzyl-5-(cyclohexylamino)-N-propan-2-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(cyclohexylamino)-N-propan-2-ylpyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(cyclohexylamino)-N-propan-2-ylpyrazine-2-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1cnc(NC2CCCCC2)cn1.
What is the InChIKey of N-benzyl-5-(cyclohexylamino)-N-propan-2-ylpyrazine-2-carboxamide?
The InChIKey is DSRPNWVASMQFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-16(2)25(15-17-9-5-3-6-10-17)21(26)19-13-23-20(14-22-19)24-18-11-7-4-8-12-18/h3,5-6,9-10,13-14,16,18H,4,7-8,11-12,15H2,1-2H3,(H,23,24).
What are the key properties of N-benzyl-5-(cyclohexylamino)-N-propan-2-ylpyrazine-2-carboxamide?
N-benzyl-5-(cyclohexylamino)-N-propan-2-ylpyrazine-2-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(cyclohexylamino)-N-propan-2-ylpyrazine-2-carboxamide is sourced from PubChem (CID 109274885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).