N-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide

C15H19N3OS — CID 50982712

IUPACN-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCCCc1cc(C(=O)N(C)C(C)c2nccs2)ccn1
InChIInChI=1S/C15H19N3OS/c1-4-5-13-10-12(6-7-16-13)15(19)18(3)11(2)14-17-8-9-20-14/h6-11H,4-5H2,1-3H3
InChIKeyDVJMXULHMVMXPA-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.32
Rot. Bonds5

About N-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide

N-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 50982712) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID50982712
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCCCc1cc(C(=O)N(C)C(C)c2nccs2)ccn1
InChIInChI=1S/C15H19N3OS/c1-4-5-13-10-12(6-7-16-13)15(19)18(3)11(2)14-17-8-9-20-14/h6-11H,4-5H2,1-3H3
InChIKeyDVJMXULHMVMXPA-UHFFFAOYSA-N
XLogP3.32
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 50968047
2-(2-hydroxyethyl)-N-methyl-N-propan-2-ylpyridine-4-carboxamide
CID 115116349
N-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]-3-(thiophen-2-ylmethylamino)benzamide
CID 50982275
3-[6-(dimethylamino)pyrazin-2-yl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 125442539
(2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 96555462
N-methyl-2-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 62180310
4-[methyl-[2-(1,3-thiazol-2-yl)propyl]carbamoyl]pyridine-2-carboxylic acid
CID 120550709
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 25366984
N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
CID 55042463
2-propyl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 50959390
(1R)-N,N-dimethyl-1-(1,3-thiazol-2-yl)ethanamine
CID 86335348
2-chloro-N-methyl-N-pentan-2-ylpyridine-4-carboxamide
CID 43430188

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of N-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide (CID 50982712) is N-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide is CCCc1cc(C(=O)N(C)C(C)c2nccs2)ccn1.
What is the InChIKey of N-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is DVJMXULHMVMXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-4-5-13-10-12(6-7-16-13)15(19)18(3)11(2)14-17-8-9-20-14/h6-11H,4-5H2,1-3H3.
What are the key properties of N-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide?
N-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 50982712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).