5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide

C19H18ClN5O — CID 109283574

IUPAC5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
SMILESCc1cc(C)c(Nc2cnc(C(=O)NCc3ccncc3)cn2)c(Cl)c1
InChIInChI=1S/C19H18ClN5O/c1-12-7-13(2)18(15(20)8-12)25-17-11-22-16(10-23-17)19(26)24-9-14-3-5-21-6-4-14/h3-8,10-11H,9H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyPKVOZXQNJZFMQP-UHFFFAOYSA-N
MW367.84 g/mol
LogP3.82
Rot. Bonds5

About 5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide

5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide (PubChem CID 109283574) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is 5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
PubChem CID109283574
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC Name5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
SMILESCc1cc(C)c(Nc2cnc(C(=O)NCc3ccncc3)cn2)c(Cl)c1
InChIInChI=1S/C19H18ClN5O/c1-12-7-13(2)18(15(20)8-12)25-17-11-22-16(10-23-17)19(26)24-9-14-3-5-21-6-4-14/h3-8,10-11H,9H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyPKVOZXQNJZFMQP-UHFFFAOYSA-N
XLogP3.82
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109283000
5-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109287810
5-(2,5-dichloroanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283625
5-(4-bromo-3-methylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283613
N-butan-2-yl-5-(2-chloro-4,6-dimethylanilino)pyrazine-2-carboxamide
CID 109273234
N-[(2-methylphenyl)methyl]-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109280021
N-(2-chloro-4,6-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283431
3-N-(2-chloro-4,6-dimethylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,3-dicarboxamide
CID 109055218
N-(2-chloro-4,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109158060
N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
CID 109259314
N-[(4-chlorophenyl)methyl]-5-(3,4-dimethylanilino)pyrazine-2-carboxamide
CID 109282024
N-[(4-chlorophenyl)methyl]-5-(2-ethyl-6-methylanilino)pyrazine-2-carboxamide
CID 109282031

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide (CID 109283574) is 5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide is Cc1cc(C)c(Nc2cnc(C(=O)NCc3ccncc3)cn2)c(Cl)c1.
What is the InChIKey of 5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide?
The InChIKey is PKVOZXQNJZFMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-12-7-13(2)18(15(20)8-12)25-17-11-22-16(10-23-17)19(26)24-9-14-3-5-21-6-4-14/h3-8,10-11H,9H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide?
5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4,6-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109283574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).