3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N,N-dimethylthiophene-2-carboxamide

C14H18N4O2S — CID 103526272

IUPAC3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N,N-dimethylthiophene-2-carboxamide
SMILESCOc1ccc(CNc2cc(N)c(C(=O)N(C)C)s2)cn1
InChIInChI=1S/C14H18N4O2S/c1-18(2)14(19)13-10(15)6-12(21-13)17-8-9-4-5-11(20-3)16-7-9/h4-7,17H,8,15H2,1-3H3
InChIKeyNEBRLJFMYCTESI-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.05
Rot. Bonds5

About 3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N,N-dimethylthiophene-2-carboxamide

3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N,N-dimethylthiophene-2-carboxamide (PubChem CID 103526272) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N,N-dimethylthiophene-2-carboxamide
PubChem CID103526272
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N,N-dimethylthiophene-2-carboxamide
SMILESCOc1ccc(CNc2cc(N)c(C(=O)N(C)C)s2)cn1
InChIInChI=1S/C14H18N4O2S/c1-18(2)14(19)13-10(15)6-12(21-13)17-8-9-4-5-11(20-3)16-7-9/h4-7,17H,8,15H2,1-3H3
InChIKeyNEBRLJFMYCTESI-UHFFFAOYSA-N
XLogP2.05
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-5-[(4-methylphenyl)methylamino]thiophene-2-carboxylate
CID 103426331
3-amino-N,N-dimethyl-5-(2-methylprop-2-enylamino)thiophene-2-carboxamide
CID 103507392
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
CID 62989885
3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide
CID 61275557
3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380109
2-amino-6-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 81394680
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
1-tert-butyl-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 115576607
3-[[(6-methoxy-3-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103250605
2-[(6-methoxy-3-pyridinyl)methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 113307111
5-amino-2,3-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 107185089

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N,N-dimethylthiophene-2-carboxamide (CID 103526272) is 3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N,N-dimethylthiophene-2-carboxamide is COc1ccc(CNc2cc(N)c(C(=O)N(C)C)s2)cn1.
What is the InChIKey of 3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is NEBRLJFMYCTESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-18(2)14(19)13-10(15)6-12(21-13)17-8-9-4-5-11(20-3)16-7-9/h4-7,17H,8,15H2,1-3H3.
What are the key properties of 3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N,N-dimethylthiophene-2-carboxamide?
3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 103526272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).