N-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide

C18H25N5O — CID 109285072

IUPACN-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(N(C)CCc2ccncc2)cn1
InChIInChI=1S/C18H25N5O/c1-4-5-11-23(3)18(24)16-13-21-17(14-20-16)22(2)12-8-15-6-9-19-10-7-15/h6-7,9-10,13-14H,4-5,8,11-12H2,1-3H3
InChIKeyRKXRSDWQTUQTJW-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.42
Rot. Bonds8

About N-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide

N-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide (PubChem CID 109285072) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
PubChem CID109285072
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cnc(N(C)CCc2ccncc2)cn1
InChIInChI=1S/C18H25N5O/c1-4-5-11-23(3)18(24)16-13-21-17(14-20-16)22(2)12-8-15-6-9-19-10-7-15/h6-7,9-10,13-14H,4-5,8,11-12H2,1-3H3
InChIKeyRKXRSDWQTUQTJW-UHFFFAOYSA-N
XLogP2.42
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyrazine-2-carboxamide
CID 109285075
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
4-N-butyl-2-N,4-N-dimethyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088262
N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285067
N-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191631
5-[methyl(2-pyridin-4-ylethyl)amino]-N,N-dipropylpyridine-2-carboxamide
CID 109192958
N-(3-acetamidophenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285128
N-butyl-N-methylpyridine-4-carboxamide;hydrochloride
CID 110756274
2-(dipropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309038
5-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrazine-2-carboxamide
CID 109284979
5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide
CID 109287711
N-butyl-5-chloro-N-methylpyrazine-2-carboxamide
CID 103803325

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide?
The IUPAC name of N-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide (CID 109285072) is N-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide?
The canonical SMILES for N-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide is CCCCN(C)C(=O)c1cnc(N(C)CCc2ccncc2)cn1.
What is the InChIKey of N-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide?
The InChIKey is RKXRSDWQTUQTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-4-5-11-23(3)18(24)16-13-21-17(14-20-16)22(2)12-8-15-6-9-19-10-7-15/h6-7,9-10,13-14H,4-5,8,11-12H2,1-3H3.
What are the key properties of N-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide?
N-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 109285072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).