2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]pyridine-3-carboxamide

C18H26N4OS — CID 110308162

IUPAC2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]pyridine-3-carboxamide
SMILESCc1nc(C(CC(C)C)NC(=O)c2cccnc2N(C)C)sc1C
InChIInChI=1S/C18H26N4OS/c1-11(2)10-15(18-20-12(3)13(4)24-18)21-17(23)14-8-7-9-19-16(14)22(5)6/h7-9,11,15H,10H2,1-6H3,(H,21,23)
InChIKeyUNLRSSMJGHAWEJ-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.74
Rot. Bonds6

About 2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]pyridine-3-carboxamide

2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]pyridine-3-carboxamide (PubChem CID 110308162) has the molecular formula C18H26N4OS and a molecular weight of 346.50 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]pyridine-3-carboxamide
PubChem CID110308162
Molecular FormulaC18H26N4OS
Molecular Weight346.50 g/mol
Exact Mass346.18
IUPAC Name2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]pyridine-3-carboxamide
SMILESCc1nc(C(CC(C)C)NC(=O)c2cccnc2N(C)C)sc1C
InChIInChI=1S/C18H26N4OS/c1-11(2)10-15(18-20-12(3)13(4)24-18)21-17(23)14-8-7-9-19-16(14)22(5)6/h7-9,11,15H,10H2,1-6H3,(H,21,23)
InChIKeyUNLRSSMJGHAWEJ-UHFFFAOYSA-N
XLogP3.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-phenylacetamide
CID 110628692
2-(dimethylamino)-N-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]pyridine-3-carboxamide
CID 125166898
1-butan-2-yl-3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]urea
CID 110628697
2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 38885280
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-3-(furan-2-yl)propanamide
CID 110308157
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 38920019
2-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 38915865
1-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110628698
3-chloro-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]pyridine-4-carboxamide
CID 125177974
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 38919428
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110628703
2-bromo-N-[1-(dimethylamino)-4-methylpentan-2-yl]pyridine-3-carboxamide
CID 103752619

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]pyridine-3-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]pyridine-3-carboxamide (CID 110308162) is 2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]pyridine-3-carboxamide is Cc1nc(C(CC(C)C)NC(=O)c2cccnc2N(C)C)sc1C.
What is the InChIKey of 2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]pyridine-3-carboxamide?
The InChIKey is UNLRSSMJGHAWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4OS/c1-11(2)10-15(18-20-12(3)13(4)24-18)21-17(23)14-8-7-9-19-16(14)22(5)6/h7-9,11,15H,10H2,1-6H3,(H,21,23).
What are the key properties of 2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]pyridine-3-carboxamide?
2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]pyridine-3-carboxamide has a molecular weight of 346.50 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]pyridine-3-carboxamide is sourced from PubChem (CID 110308162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).