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

C13H16N4O2S — CID 106383359

IUPACN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)NCc2csc(=O)[nH]2)c1
InChIInChI=1S/C13H16N4O2S/c1-2-4-14-9-3-5-15-11(6-9)12(18)16-7-10-8-20-13(19)17-10/h3,5-6,8H,2,4,7H2,1H3,(H,14,15)(H,16,18)(H,17,19)
InChIKeyDYPYDYBWJADBSA-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.58
Rot. Bonds6

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

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-2-carboxamide (PubChem CID 106383359) 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]-4-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-2-carboxamide
PubChem CID106383359
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)NCc2csc(=O)[nH]2)c1
InChIInChI=1S/C13H16N4O2S/c1-2-4-14-9-3-5-15-11(6-9)12(18)16-7-10-8-20-13(19)17-10/h3,5-6,8H,2,4,7H2,1H3,(H,14,15)(H,16,18)(H,17,19)
InChIKeyDYPYDYBWJADBSA-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

N,N-diethyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carboxamide
CID 106381972
N-[(4-fluorophenyl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 62167261
4-(propylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62172967
4-(propylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 62185396
N-[(2-methylpyrazol-3-yl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 63303394
4-(propylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62185886
N-ethyl-4-[2-(propylamino)ethylamino]pyridine-2-carboxamide
CID 55101029
N-[2-(dimethylamino)propyl]-4-(propylamino)pyridine-2-carboxamide
CID 55047383
N-[2-(methanesulfonamido)ethyl]-4-(propylamino)pyridine-2-carboxamide
CID 62168705
2-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114181779
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 103775064
5-amino-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 106379186

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-2-carboxamide (CID 106383359) is N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-2-carboxamide is CCCNc1ccnc(C(=O)NCc2csc(=O)[nH]2)c1.
What is the InChIKey of N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-2-carboxamide?
The InChIKey is DYPYDYBWJADBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c1-2-4-14-9-3-5-15-11(6-9)12(18)16-7-10-8-20-13(19)17-10/h3,5-6,8H,2,4,7H2,1H3,(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]-4-(propylamino)pyridine-2-carboxamide?
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-2-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]-4-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 106383359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).