3-amino-N-(5-hydroxypentyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide

C15H21N3O2S — CID 107323848

IUPAC3-amino-N-(5-hydroxypentyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
SMILESCc1cc2sc(C(=O)NCCCCCO)c(N)c2c(C)n1
InChIInChI=1S/C15H21N3O2S/c1-9-8-11-12(10(2)18-9)13(16)14(21-11)15(20)17-6-4-3-5-7-19/h8,19H,3-7,16H2,1-2H3,(H,17,20)
InChIKeyBAKBUOYMAVLPDZ-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.39
Rot. Bonds6

About 3-amino-N-(5-hydroxypentyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide

3-amino-N-(5-hydroxypentyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide (PubChem CID 107323848) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-amino-N-(5-hydroxypentyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-hydroxypentyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
PubChem CID107323848
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name3-amino-N-(5-hydroxypentyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
SMILESCc1cc2sc(C(=O)NCCCCCO)c(N)c2c(C)n1
InChIInChI=1S/C15H21N3O2S/c1-9-8-11-12(10(2)18-9)13(16)14(21-11)15(20)17-6-4-3-5-7-19/h8,19H,3-7,16H2,1-2H3,(H,17,20)
InChIKeyBAKBUOYMAVLPDZ-UHFFFAOYSA-N
XLogP2.39
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-4,6-dimethyl-N-[3-(methylamino)propyl]thieno[3,2-c]pyridine-2-carboxamide
CID 81053330
2-[(3-amino-4,6-dimethylthieno[3,2-c]pyridine-2-carbonyl)amino]ethyl carbamate
CID 83206282
3-amino-4,6-dimethyl-N-(3,3,3-trifluoropropyl)thieno[3,2-c]pyridine-2-carboxamide
CID 81037438
3-amino-4,6-dimethyl-N-prop-2-enylthieno[3,2-c]pyridine-2-carboxamide
CID 81052779
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
CID 106174323
3-amino-4,6-dimethyl-N-(2-methylbutyl)thieno[3,2-c]pyridine-2-carboxamide
CID 81052861
3-amino-N-(5-hydroxypentyl)-6-methyl-1-benzothiophene-2-carboxamide
CID 107323866
3-amino-4,6-dimethyl-N-(2-methyl-3-methylsulfanylpropyl)thieno[3,2-c]pyridine-2-carboxamide
CID 81038201
5-amino-N-(5-hydroxypentyl)-3,4-dimethylthieno[2,3-c]pyridazine-6-carboxamide
CID 107323862
3-amino-4,6-dimethyl-N-pentan-2-ylthieno[3,2-c]pyridine-2-carboxamide
CID 81053012
3-amino-4,6-dimethyl-N-(thiolan-2-ylmethyl)thieno[3,2-c]pyridine-2-carboxamide
CID 81036990
3-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
CID 81037428

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-hydroxypentyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(5-hydroxypentyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide (CID 107323848) is 3-amino-N-(5-hydroxypentyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(5-hydroxypentyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(5-hydroxypentyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide is Cc1cc2sc(C(=O)NCCCCCO)c(N)c2c(C)n1.
What is the InChIKey of 3-amino-N-(5-hydroxypentyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is BAKBUOYMAVLPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-9-8-11-12(10(2)18-9)13(16)14(21-11)15(20)17-6-4-3-5-7-19/h8,19H,3-7,16H2,1-2H3,(H,17,20).
What are the key properties of 3-amino-N-(5-hydroxypentyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide?
3-amino-N-(5-hydroxypentyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-hydroxypentyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 107323848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).