4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N,N-dimethylpyridine-2-carboxamide

C16H19N3OS — CID 61208196

IUPAC4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(NCc2cc3c(s2)CCC3)ccn1
InChIInChI=1S/C16H19N3OS/c1-19(2)16(20)14-9-12(6-7-17-14)18-10-13-8-11-4-3-5-15(11)21-13/h6-9H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyOHICUOKGIVIBDM-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.95
Rot. Bonds4

About 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N,N-dimethylpyridine-2-carboxamide

4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N,N-dimethylpyridine-2-carboxamide (PubChem CID 61208196) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N,N-dimethylpyridine-2-carboxamide
PubChem CID61208196
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(NCc2cc3c(s2)CCC3)ccn1
InChIInChI=1S/C16H19N3OS/c1-19(2)16(20)14-9-12(6-7-17-14)18-10-13-8-11-4-3-5-15(11)21-13/h6-9H,3-5,10H2,1-2H3,(H,17,18)
InChIKeyOHICUOKGIVIBDM-UHFFFAOYSA-N
XLogP2.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4,5-dimethylthiophen-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 65243446
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-fluoropyridin-4-amine
CID 106194051
4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 113282785
4-(cyclopentylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43517479
N,N-dimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-2-carboxamide
CID 63281075
N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpyrimidin-4-amine
CID 55112619
N,N-dimethyl-4-[(1-methylpyrazol-4-yl)methylamino]pyridine-2-carboxamide
CID 61348905
N,N-dimethyl-4-(1H-pyrazol-4-ylmethylamino)pyridine-2-carboxamide
CID 54897544
N,N-dimethyl-4-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide
CID 63295796
4-[(1,1-dioxothiolan-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 81040809
2-amino-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)-2-methylpropanamide
CID 61265462
4-(2-hydroxypropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43395771

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N,N-dimethylpyridine-2-carboxamide (CID 61208196) is 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cc(NCc2cc3c(s2)CCC3)ccn1.
What is the InChIKey of 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is OHICUOKGIVIBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-19(2)16(20)14-9-12(6-7-17-14)18-10-13-8-11-4-3-5-15(11)21-13/h6-9H,3-5,10H2,1-2H3,(H,17,18).
What are the key properties of 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N,N-dimethylpyridine-2-carboxamide?
4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 301.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 61208196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).