2-cyclopropyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-1H-pyridine-4-carboxamide

C17H21N3O2S — CID 127903484

IUPAC2-cyclopropyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1nc(C(C)(C)NC(=O)c2cc(C3CC3)[nH]c(=O)c2)sc1C
InChIInChI=1S/C17H21N3O2S/c1-9-10(2)23-16(18-9)17(3,4)20-15(22)12-7-13(11-5-6-11)19-14(21)8-12/h7-8,11H,5-6H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyYODDGFWIFFTTMW-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.99
Rot. Bonds4

About 2-cyclopropyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-1H-pyridine-4-carboxamide

2-cyclopropyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 127903484) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-cyclopropyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-1H-pyridine-4-carboxamide
PubChem CID127903484
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-cyclopropyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1nc(C(C)(C)NC(=O)c2cc(C3CC3)[nH]c(=O)c2)sc1C
InChIInChI=1S/C17H21N3O2S/c1-9-10(2)23-16(18-9)17(3,4)20-15(22)12-7-13(11-5-6-11)19-14(21)8-12/h7-8,11H,5-6H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyYODDGFWIFFTTMW-UHFFFAOYSA-N
XLogP2.99
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-1H-pyridine-4-carboxamide (CID 127903484) is 2-cyclopropyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-1H-pyridine-4-carboxamide is Cc1nc(C(C)(C)NC(=O)c2cc(C3CC3)[nH]c(=O)c2)sc1C.
What is the InChIKey of 2-cyclopropyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is YODDGFWIFFTTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-9-10(2)23-16(18-9)17(3,4)20-15(22)12-7-13(11-5-6-11)19-14(21)8-12/h7-8,11H,5-6H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of 2-cyclopropyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-1H-pyridine-4-carboxamide?
2-cyclopropyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-yl]-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 127903484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).