2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-methylpyridine-3-carboxamide

C14H18N4OS — CID 133321428

IUPAC2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-methylpyridine-3-carboxamide
SMILESCCc1ncc(CN(C)c2ncccc2C(=O)NC)s1
InChIInChI=1S/C14H18N4OS/c1-4-12-17-8-10(20-12)9-18(3)13-11(14(19)15-2)6-5-7-16-13/h5-8H,4,9H2,1-3H3,(H,15,19)
InChIKeyWDHKNSFQDLEXIY-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.10
Rot. Bonds5

About 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-methylpyridine-3-carboxamide

2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-methylpyridine-3-carboxamide (PubChem CID 133321428) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-methylpyridine-3-carboxamide
PubChem CID133321428
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-methylpyridine-3-carboxamide
SMILESCCc1ncc(CN(C)c2ncccc2C(=O)NC)s1
InChIInChI=1S/C14H18N4OS/c1-4-12-17-8-10(20-12)9-18(3)13-11(14(19)15-2)6-5-7-16-13/h5-8H,4,9H2,1-3H3,(H,15,19)
InChIKeyWDHKNSFQDLEXIY-UHFFFAOYSA-N
XLogP2.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydroindol-1-yl-[2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-3-pyridinyl]methanone
CID 133321429
2-[(3,5-dichlorophenyl)methyl-methylamino]-N-methylpyridine-3-carboxamide
CID 133318903
N-methyl-2-[methyl(naphthalen-1-ylmethyl)amino]pyridine-3-carboxamide
CID 133318528
2-[(4-bromophenyl)methyl-methylamino]pyridine-3-carboxylic acid
CID 45423294
1-[2-[methyl(pyridin-4-ylmethyl)amino]-3-pyridinyl]ethanone
CID 103721785
4-[[(3-carbamoyl-2-pyridinyl)-methylamino]methyl]benzoic acid
CID 60977524
2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-propan-2-ylpropanamide
CID 56785620
2-bromo-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 103709233
N-methyl-2-[2-oxoethyl(prop-2-enoyl)amino]pyridine-3-carboxamide
CID 173273866
2-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbothioamide
CID 43563703
N-cyclopentyl-2-(diethylamino)pyridine-3-carboxamide
CID 5077246
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1,7-naphthyridine-8-carboxamide
CID 138026322

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-methylpyridine-3-carboxamide (CID 133321428) is 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-methylpyridine-3-carboxamide is CCc1ncc(CN(C)c2ncccc2C(=O)NC)s1.
What is the InChIKey of 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-methylpyridine-3-carboxamide?
The InChIKey is WDHKNSFQDLEXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-4-12-17-8-10(20-12)9-18(3)13-11(14(19)15-2)6-5-7-16-13/h5-8H,4,9H2,1-3H3,(H,15,19).
What are the key properties of 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-methylpyridine-3-carboxamide?
2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-methylpyridine-3-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,3-thiazol-5-yl)methyl-methylamino]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 133321428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).