4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide

C19H16N4O3 — CID 70979313

IUPAC4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc3c(cc2C)OCO3)cn1
InChIInChI=1S/C19H16N4O3/c1-11-3-4-20-7-14(11)19(24)23-18-9-21-15(8-22-18)13-6-17-16(5-12(13)2)25-10-26-17/h3-9H,10H2,1-2H3,(H,22,23,24)
InChIKeyHSSXSAITGGLMQS-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.14
Rot. Bonds3

About 4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide

4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide (PubChem CID 70979313) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide
PubChem CID70979313
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1cnc(-c2cc3c(cc2C)OCO3)cn1
InChIInChI=1S/C19H16N4O3/c1-11-3-4-20-7-14(11)19(24)23-18-9-21-15(8-22-18)13-6-17-16(5-12(13)2)25-10-26-17/h3-9H,10H2,1-2H3,(H,22,23,24)
InChIKeyHSSXSAITGGLMQS-UHFFFAOYSA-N
XLogP3.14
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-(1,3-Benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl)benzamide
CID 4521392
Bay 61-3606
CID 10200390
N-(2-Pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 591105
Seralutinib
CID 91663352
6-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-2-(2,6-dimethoxypyridin-3-yl)-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 11203324
N-(2H-1,3-benzodioxol-5-ylmethyl)-4-(2,6-dimethoxypyridin-3-yl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ylcarbonyl)pyrimidin-2-amine
CID 25218730
2'-[2-(1,3-Benzodioxol-5-Yl)pyrimidin-4-Yl]-5',6'-Dihydrospiro[piperidine-4,7'-Pyrrolo[3,2-C]pyridin]-4'(1'h)-One
CID 53326866
N-[3-(1-{[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino}ethyl)phenyl]pyridine-3-carboxamide
CID 135507511
N-{3-[(1S)-1-{[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino}ethyl]phenyl}pyridine-3-carboxamide
CID 135875689
3-Benzo[1,3]dioxol-5-yl-2-(5-pyridin-3-yl-pyrimidin-2-yl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11328682
N-{3-[(1R)-1-{[6-(4-hydroxy-3-methoxyphenyl)pyrazin-2-yl]amino}ethyl]phenyl}pyridine-3-carboxamide
CID 135430734
2-((R)-4-(2-(1H-imidazol-1-yl)-6-methylpyrimidin-4-yl)-1-isobutyrylpiperazin-2-yl)-N-(benzo[d][1,3]dioxol-5-ylmethyl)acetamide
CID 16115744

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide?
The IUPAC name of 4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide (CID 70979313) is 4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1cnc(-c2cc3c(cc2C)OCO3)cn1.
What is the InChIKey of 4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide?
The InChIKey is HSSXSAITGGLMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-11-3-4-20-7-14(11)19(24)23-18-9-21-15(8-22-18)13-6-17-16(5-12(13)2)25-10-26-17/h3-9H,10H2,1-2H3,(H,22,23,24).
What are the key properties of 4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide?
4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide has a molecular weight of 348.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-(6-methyl-1,3-benzodioxol-5-yl)pyrazin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 70979313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).