4-[(4,5-dimethylthiophen-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide

C15H19N3OS — CID 65243446

IUPAC4-[(4,5-dimethylthiophen-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide
SMILESCc1cc(CNc2ccnc(C(=O)N(C)C)c2)sc1C
InChIInChI=1S/C15H19N3OS/c1-10-7-13(20-11(10)2)9-17-12-5-6-16-14(8-12)15(19)18(3)4/h5-8H,9H2,1-4H3,(H,16,17)
InChIKeyPQSJGHWFPRCMFY-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.07
Rot. Bonds4

About 4-[(4,5-dimethylthiophen-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide

4-[(4,5-dimethylthiophen-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide (PubChem CID 65243446) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 4-[(4,5-dimethylthiophen-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(4,5-dimethylthiophen-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide
PubChem CID65243446
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name4-[(4,5-dimethylthiophen-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide
SMILESCc1cc(CNc2ccnc(C(=O)N(C)C)c2)sc1C
InChIInChI=1S/C15H19N3OS/c1-10-7-13(20-11(10)2)9-17-12-5-6-16-14(8-12)15(19)18(3)4/h5-8H,9H2,1-4H3,(H,16,17)
InChIKeyPQSJGHWFPRCMFY-UHFFFAOYSA-N
XLogP3.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 61208196
N,N-dimethyl-4-[(4-methyl-3-pyridinyl)methylamino]pyridine-2-carboxamide
CID 114956582
N,N-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxamide
CID 63281075
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-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide
CID 63295796
N,N-dimethyl-4-(1H-pyrazol-4-ylmethylamino)pyridine-2-carboxamide
CID 54897544
N,N-dimethyl-4-[[2-(methylamino)-2-oxoethyl]amino]pyridine-2-carboxamide
CID 43395819
4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395771
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-(cyclopentylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43517479

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethylthiophen-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[(4,5-dimethylthiophen-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide (CID 65243446) is 4-[(4,5-dimethylthiophen-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[(4,5-dimethylthiophen-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[(4,5-dimethylthiophen-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide is Cc1cc(CNc2ccnc(C(=O)N(C)C)c2)sc1C.
What is the InChIKey of 4-[(4,5-dimethylthiophen-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is PQSJGHWFPRCMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10-7-13(20-11(10)2)9-17-12-5-6-16-14(8-12)15(19)18(3)4/h5-8H,9H2,1-4H3,(H,16,17).
What are the key properties of 4-[(4,5-dimethylthiophen-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide?
4-[(4,5-dimethylthiophen-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethylthiophen-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 65243446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).