N-methyl-4-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide

C12H14N4OS — CID 62179582

IUPACN-methyl-4-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)N(C)Cc2cscn2)c1
InChIInChI=1S/C12H14N4OS/c1-13-9-3-4-14-11(5-9)12(17)16(2)6-10-7-18-8-15-10/h3-5,7-8H,6H2,1-2H3,(H,13,14)
InChIKeyIVHGKAPUSLRNBS-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.85
Rot. Bonds4

About N-methyl-4-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide

N-methyl-4-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 62179582) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-methyl-4-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
PubChem CID62179582
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-methyl-4-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
SMILESCNc1ccnc(C(=O)N(C)Cc2cscn2)c1
InChIInChI=1S/C12H14N4OS/c1-13-9-3-4-14-11(5-9)12(17)16(2)6-10-7-18-8-15-10/h3-5,7-8H,6H2,1-2H3,(H,13,14)
InChIKeyIVHGKAPUSLRNBS-UHFFFAOYSA-N
XLogP1.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydrazinyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
CID 62236807
N-methyl-4-(methylamino)-N-propylpyridine-2-carboxamide
CID 62170346
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-(methylamino)pyridine-2-carboxamide
CID 55046912
N-methyl-4-(methylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 64518148
N-methyl-4-(methylamino)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pyridine-2-carboxamide
CID 64517368
3,4,5-trifluoro-N-methyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 63189346
2-bromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)furan-3-carboxamide
CID 106853803
4-amino-N,3-dimethyl-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 55013339
N-(cyclohexylmethyl)-N-methyl-4-(methylamino)pyridine-2-carboxamide
CID 55047491
4,5-dibromo-N-methyl-N-(1,3-thiazol-4-ylmethyl)thiophene-2-carboxamide
CID 47402715
N-ethyl-4-(methylamino)-N-pyridin-4-ylpyridine-2-carboxamide
CID 106937446
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 63836696

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide (CID 62179582) is N-methyl-4-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide is CNc1ccnc(C(=O)N(C)Cc2cscn2)c1.
What is the InChIKey of N-methyl-4-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is IVHGKAPUSLRNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-13-9-3-4-14-11(5-9)12(17)16(2)6-10-7-18-8-15-10/h3-5,7-8H,6H2,1-2H3,(H,13,14).
What are the key properties of N-methyl-4-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide?
N-methyl-4-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylamino)-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62179582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).