1,6-dimethyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-oxopyridine-2-carboxamide

C15H19N3O2S — CID 126444931

IUPAC1,6-dimethyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-oxopyridine-2-carboxamide
SMILESCc1csc([C@H](C)CNC(=O)c2cc(=O)cc(C)n2C)n1
InChIInChI=1S/C15H19N3O2S/c1-9(15-17-10(2)8-21-15)7-16-14(20)13-6-12(19)5-11(3)18(13)4/h5-6,8-9H,7H2,1-4H3,(H,16,20)/t9-/m1/s1
InChIKeyLIXBCWBNHJNCRU-SECBINFHSA-N
MW305.40 g/mol
LogP1.99
Rot. Bonds4

About 1,6-dimethyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-oxopyridine-2-carboxamide

1,6-dimethyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-oxopyridine-2-carboxamide (PubChem CID 126444931) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1,6-dimethyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-oxopyridine-2-carboxamide.

Molecular Properties

Compound Name1,6-dimethyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-oxopyridine-2-carboxamide
PubChem CID126444931
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1,6-dimethyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-oxopyridine-2-carboxamide
SMILESCc1csc([C@H](C)CNC(=O)c2cc(=O)cc(C)n2C)n1
InChIInChI=1S/C15H19N3O2S/c1-9(15-17-10(2)8-21-15)7-16-14(20)13-6-12(19)5-11(3)18(13)4/h5-6,8-9H,7H2,1-4H3,(H,16,20)/t9-/m1/s1
InChIKeyLIXBCWBNHJNCRU-SECBINFHSA-N
XLogP1.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-oxopyridine-2-carboxamide?
The IUPAC name of 1,6-dimethyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-oxopyridine-2-carboxamide (CID 126444931) is 1,6-dimethyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-oxopyridine-2-carboxamide.
What is the SMILES notation for 1,6-dimethyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-oxopyridine-2-carboxamide?
The canonical SMILES for 1,6-dimethyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-oxopyridine-2-carboxamide is Cc1csc([C@H](C)CNC(=O)c2cc(=O)cc(C)n2C)n1.
What is the InChIKey of 1,6-dimethyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-oxopyridine-2-carboxamide?
The InChIKey is LIXBCWBNHJNCRU-SECBINFHSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-9(15-17-10(2)8-21-15)7-16-14(20)13-6-12(19)5-11(3)18(13)4/h5-6,8-9H,7H2,1-4H3,(H,16,20)/t9-/m1/s1.
What are the key properties of 1,6-dimethyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-oxopyridine-2-carboxamide?
1,6-dimethyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-oxopyridine-2-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-N-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)propyl]-4-oxopyridine-2-carboxamide is sourced from PubChem (CID 126444931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).