5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide

C20H28N4O — CID 109287711

IUPAC5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(N(Cc2ccccc2)C(C)C)cn1
InChIInChI=1S/C20H28N4O/c1-5-6-12-23(4)20(25)18-13-22-19(14-21-18)24(16(2)3)15-17-10-8-7-9-11-17/h7-11,13-14,16H,5-6,12,15H2,1-4H3
InChIKeyRJWVNZSQZZKRPO-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.76
Rot. Bonds8

About 5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide

5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide (PubChem CID 109287711) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide
PubChem CID109287711
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(N(Cc2ccccc2)C(C)C)cn1
InChIInChI=1S/C20H28N4O/c1-5-6-12-23(4)20(25)18-13-22-19(14-21-18)24(16(2)3)15-17-10-8-7-9-11-17/h7-11,13-14,16H,5-6,12,15H2,1-4H3
InChIKeyRJWVNZSQZZKRPO-UHFFFAOYSA-N
XLogP3.76
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyridine-3-carboxamide
CID 109161088
6-N-benzyl-2-N-butyl-2-N-methyl-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109099313
5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide
CID 109287716
5-[methyl(3-phenylpropyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120688951
N-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285072
5-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282403
2-[benzyl(methyl)amino]-N-butyl-N-methylpyrimidine-4-carboxamide
CID 109305016
6-N-benzyl-2-N-butyl-6-N-ethyl-2-N-methylpyridine-2,6-dicarboxamide
CID 109098082
4-[benzyl(methyl)amino]-N-butyl-N-methylpyridine-2-carboxamide
CID 109211042
5-[benzyl(propan-2-yl)amino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109192863
N-butyl-5-chloro-N-methylpyrazine-2-carboxamide
CID 103803325
5-[benzyl(propan-2-yl)amino]-N-(3-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 109287739

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide?
The IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide (CID 109287711) is 5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide is CCCCN(C)C(=O)c1cnc(N(Cc2ccccc2)C(C)C)cn1.
What is the InChIKey of 5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide?
The InChIKey is RJWVNZSQZZKRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-5-6-12-23(4)20(25)18-13-22-19(14-21-18)24(16(2)3)15-17-10-8-7-9-11-17/h7-11,13-14,16H,5-6,12,15H2,1-4H3.
What are the key properties of 5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide?
5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 109287711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).