N,2-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

C14H17N3O2S — CID 75389323

IUPACN,2-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cnc(CCN(C)C(=O)c2ccc(=O)[nH]c2C)s1
InChIInChI=1S/C14H17N3O2S/c1-9-8-15-13(20-9)6-7-17(3)14(19)11-4-5-12(18)16-10(11)2/h4-5,8H,6-7H2,1-3H3,(H,16,18)
InChIKeyNFSZCJVDKBWBPT-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.76
Rot. Bonds4

About N,2-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide

N,2-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 75389323) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID75389323
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN,2-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1cnc(CCN(C)C(=O)c2ccc(=O)[nH]c2C)s1
InChIInChI=1S/C14H17N3O2S/c1-9-8-15-13(20-9)6-7-17(3)14(19)11-4-5-12(18)16-10(11)2/h4-5,8H,6-7H2,1-3H3,(H,16,18)
InChIKeyNFSZCJVDKBWBPT-UHFFFAOYSA-N
XLogP1.76
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 75389323) is N,2-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is Cc1cnc(CCN(C)C(=O)c2ccc(=O)[nH]c2C)s1.
What is the InChIKey of N,2-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is NFSZCJVDKBWBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-8-15-13(20-9)6-7-17(3)14(19)11-4-5-12(18)16-10(11)2/h4-5,8H,6-7H2,1-3H3,(H,16,18).
What are the key properties of N,2-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide?
N,2-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 75389323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).