N-methyl-5-[(4-methylphenyl)methylamino]-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide

C21H23N5O — CID 109280643

IUPACN-methyl-5-[(4-methylphenyl)methylamino]-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
SMILESCc1ccc(CNc2cnc(C(=O)N(C)CCc3ccncc3)cn2)cc1
InChIInChI=1S/C21H23N5O/c1-16-3-5-18(6-4-16)13-24-20-15-23-19(14-25-20)21(27)26(2)12-9-17-7-10-22-11-8-17/h3-8,10-11,14-15H,9,12-13H2,1-2H3,(H,24,25)
InChIKeyPYVNJWYLVDSBMN-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.11
Rot. Bonds7

About N-methyl-5-[(4-methylphenyl)methylamino]-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide

N-methyl-5-[(4-methylphenyl)methylamino]-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide (PubChem CID 109280643) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-methyl-5-[(4-methylphenyl)methylamino]-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(4-methylphenyl)methylamino]-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
PubChem CID109280643
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-methyl-5-[(4-methylphenyl)methylamino]-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
SMILESCc1ccc(CNc2cnc(C(=O)N(C)CCc3ccncc3)cn2)cc1
InChIInChI=1S/C21H23N5O/c1-16-3-5-18(6-4-16)13-24-20-15-23-19(14-25-20)21(27)26(2)12-9-17-7-10-22-11-8-17/h3-8,10-11,14-15H,9,12-13H2,1-2H3,(H,24,25)
InChIKeyPYVNJWYLVDSBMN-UHFFFAOYSA-N
XLogP3.11
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109284979
N,N-diethyl-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280656
6-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109156607
N-methyl-N-(2-pyridin-4-ylethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307463
5-[(4-methoxyphenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109190465
5-(2-fluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109285014
5-(2,4-difluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109285050
2-[(4-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109170941
N-[2-(4-methoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283647
5-(2,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109285036
N-methyl-N-(2-pyridin-4-ylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235639
5-[(4-methylphenyl)methylamino]-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272750

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(4-methylphenyl)methylamino]-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide?
The IUPAC name of N-methyl-5-[(4-methylphenyl)methylamino]-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide (CID 109280643) is N-methyl-5-[(4-methylphenyl)methylamino]-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[(4-methylphenyl)methylamino]-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-methyl-5-[(4-methylphenyl)methylamino]-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide is Cc1ccc(CNc2cnc(C(=O)N(C)CCc3ccncc3)cn2)cc1.
What is the InChIKey of N-methyl-5-[(4-methylphenyl)methylamino]-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide?
The InChIKey is PYVNJWYLVDSBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-16-3-5-18(6-4-16)13-24-20-15-23-19(14-25-20)21(27)26(2)12-9-17-7-10-22-11-8-17/h3-8,10-11,14-15H,9,12-13H2,1-2H3,(H,24,25).
What are the key properties of N-methyl-5-[(4-methylphenyl)methylamino]-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide?
N-methyl-5-[(4-methylphenyl)methylamino]-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(4-methylphenyl)methylamino]-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109280643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).