N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide

C13H16N4O2S — CID 106383409

IUPACN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C13H16N4O2S/c1-2-5-14-11-10(4-3-6-15-11)12(18)16-7-9-8-20-13(19)17-9/h3-4,6,8H,2,5,7H2,1H3,(H,14,15)(H,16,18)(H,17,19)
InChIKeyAWNLZVDWNOOMGC-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.58
Rot. Bonds6

About N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide (PubChem CID 106383409) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
PubChem CID106383409
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C13H16N4O2S/c1-2-5-14-11-10(4-3-6-15-11)12(18)16-7-9-8-20-13(19)17-9/h3-4,6,8H,2,5,7H2,1H3,(H,14,15)(H,16,18)(H,17,19)
InChIKeyAWNLZVDWNOOMGC-UHFFFAOYSA-N
XLogP1.58
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 107358887
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62174071
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 106383359
ethyl 2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carboxylate
CID 106382203
3-amino-2-ethoxy-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzamide
CID 106379162
N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 63961240
4-[[(3-ethoxy-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106382213
N-[(3-fluorophenyl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62166991
N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167056
N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 62168878
N-(2-methyl-2-methylsulfonylpropyl)-2-(propylamino)pyridine-3-carboxamide
CID 79557910
N-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide
CID 104765522

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide (CID 106383409) is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncccc1C(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is AWNLZVDWNOOMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-2-5-14-11-10(4-3-6-15-11)12(18)16-7-9-8-20-13(19)17-9/h3-4,6,8H,2,5,7H2,1H3,(H,14,15)(H,16,18)(H,17,19).
What are the key properties of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide?
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 292.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 106383409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).