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

C13H16N4OS — CID 63281075

IUPACN,N-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxamide
SMILESCc1ncsc1CNc1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C13H16N4OS/c1-9-12(19-8-16-9)7-15-10-4-5-14-11(6-10)13(18)17(2)3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyMJLGJFRQTHFOOB-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.16
Rot. Bonds4

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

N,N-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxamide (PubChem CID 63281075) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is N,N-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxamide
PubChem CID63281075
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC NameN,N-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxamide
SMILESCc1ncsc1CNc1ccnc(C(=O)N(C)C)c1
InChIInChI=1S/C13H16N4OS/c1-9-12(19-8-16-9)7-15-10-4-5-14-11(6-10)13(18)17(2)3/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeyMJLGJFRQTHFOOB-UHFFFAOYSA-N
XLogP2.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(propylamino)pyridine-2-carboxamide
CID 63836696
4-[(4,5-dimethylthiophen-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 65243446
4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 113282785
4-[[4-(hydroxymethyl)phenyl]methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 107232295
N,N-dimethyl-4-[(4-methyl-3-pyridinyl)methylamino]pyridine-2-carboxamide
CID 114956582
N,N-dimethyl-4-(1H-pyrazol-4-ylmethylamino)pyridine-2-carboxamide
CID 54897544
4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395771
N,N-dimethyl-4-[[2-(methylamino)-2-oxoethyl]amino]pyridine-2-carboxamide
CID 43395819
N,N-dimethyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridine-2-carboxamide
CID 61348905
4-[(2-hydroxy-2-methylbutyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 63962759
4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 61208196
N,N-dimethyl-4-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-2-carboxamide
CID 62642740

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxamide (CID 63281075) is N,N-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxamide is Cc1ncsc1CNc1ccnc(C(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxamide?
The InChIKey is MJLGJFRQTHFOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9-12(19-8-16-9)7-15-10-4-5-14-11(6-10)13(18)17(2)3/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of N,N-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxamide?
N,N-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxamide has a molecular weight of 276.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxamide is sourced from PubChem (CID 63281075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).