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

C14H18N4O2S — CID 106381972

IUPACN,N-diethyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(NCc2csc(=O)[nH]2)ccn1
InChIInChI=1S/C14H18N4O2S/c1-3-18(4-2)13(19)12-7-10(5-6-15-12)16-8-11-9-21-14(20)17-11/h5-7,9H,3-4,8H2,1-2H3,(H,15,16)(H,17,20)
InChIKeyDFUXNQQOKKRBRU-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.93
Rot. Bonds6

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

N,N-diethyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carboxamide (PubChem CID 106381972) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is N,N-diethyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carboxamide
PubChem CID106381972
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC NameN,N-diethyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(NCc2csc(=O)[nH]2)ccn1
InChIInChI=1S/C14H18N4O2S/c1-3-18(4-2)13(19)12-7-10(5-6-15-12)16-8-11-9-21-14(20)17-11/h5-7,9H,3-4,8H2,1-2H3,(H,15,16)(H,17,20)
InChIKeyDFUXNQQOKKRBRU-UHFFFAOYSA-N
XLogP1.93
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N,N-diethyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 106383359
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
4-[[(2-hydrazinyl-4-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106384321
N,N-diethyl-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212060
N,N-diethyl-4-(1,2,3,6-tetrahydropyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 114694391
N,N-diethyl-4-(2,2,2-trifluoroethylamino)pyridine-2-carboxamide
CID 43517418
N,N-diethyl-4-(2-methylbutylamino)pyridine-2-carboxamide
CID 62693747
N,N-diethyl-4-(pent-4-ynylamino)pyridine-2-carboxamide
CID 106222471
4-(2,3-dihydroxypropylamino)-N,N-diethylpyridine-2-carboxamide
CID 66175860
2-[[[2-(diethylcarbamoyl)-4-pyridinyl]amino]methyl]butanoic acid
CID 65226330
N,N-diethyl-4-[(2-hydroxy-2-methylpentyl)amino]pyridine-2-carboxamide
CID 106290832
4-[(3-amino-2,2-difluoropropyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 114384362

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N,N-diethyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carboxamide (CID 106381972) is N,N-diethyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N,N-diethyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carboxamide is CCN(CC)C(=O)c1cc(NCc2csc(=O)[nH]2)ccn1.
What is the InChIKey of N,N-diethyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carboxamide?
The InChIKey is DFUXNQQOKKRBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-3-18(4-2)13(19)12-7-10(5-6-15-12)16-8-11-9-21-14(20)17-11/h5-7,9H,3-4,8H2,1-2H3,(H,15,16)(H,17,20).
What are the key properties of N,N-diethyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carboxamide?
N,N-diethyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 106381972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).