2-methyl-N-[2-[2-[(2-methylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide

C19H19N5O2S — CID 99799139

IUPAC2-methyl-N-[2-[2-[(2-methylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCCc1csc(NC(=O)c2cccnc2C)n1
InChIInChI=1S/C19H19N5O2S/c1-12-15(5-3-8-20-12)17(25)22-10-7-14-11-27-19(23-14)24-18(26)16-6-4-9-21-13(16)2/h3-6,8-9,11H,7,10H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyANVZLWWNZWBWAJ-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.77
Rot. Bonds6

About 2-methyl-N-[2-[2-[(2-methylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide

2-methyl-N-[2-[2-[(2-methylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide (PubChem CID 99799139) has the molecular formula C19H19N5O2S and a molecular weight of 381.46 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[(2-methylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[(2-methylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide
PubChem CID99799139
Molecular FormulaC19H19N5O2S
Molecular Weight381.46 g/mol
Exact Mass381.13
IUPAC Name2-methyl-N-[2-[2-[(2-methylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NCCc1csc(NC(=O)c2cccnc2C)n1
InChIInChI=1S/C19H19N5O2S/c1-12-15(5-3-8-20-12)17(25)22-10-7-14-11-27-19(23-14)24-18(26)16-6-4-9-21-13(16)2/h3-6,8-9,11H,7,10H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyANVZLWWNZWBWAJ-UHFFFAOYSA-N
XLogP2.77
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[(2-methylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-[2-[(2-methylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide (CID 99799139) is 2-methyl-N-[2-[2-[(2-methylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[2-[(2-methylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[2-[(2-methylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide is Cc1ncccc1C(=O)NCCc1csc(NC(=O)c2cccnc2C)n1.
What is the InChIKey of 2-methyl-N-[2-[2-[(2-methylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is ANVZLWWNZWBWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2S/c1-12-15(5-3-8-20-12)17(25)22-10-7-14-11-27-19(23-14)24-18(26)16-6-4-9-21-13(16)2/h3-6,8-9,11H,7,10H2,1-2H3,(H,22,25)(H,23,24,26).
What are the key properties of 2-methyl-N-[2-[2-[(2-methylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide?
2-methyl-N-[2-[2-[(2-methylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 381.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[(2-methylpyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 99799139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).