N-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide

C25H31N3O3S — CID 155135332

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide
SMILESCC(C)CC(C)(O)c1ccnc2c(N(C)C)c(C(=O)NC3CCOc4ccccc43)sc12
InChIInChI=1S/C25H31N3O3S/c1-15(2)14-25(3,30)17-10-12-26-20-21(28(4)5)23(32-22(17)20)24(29)27-18-11-13-31-19-9-7-6-8-16(18)19/h6-10,12,15,18,30H,11,13-14H2,1-5H3,(H,27,29)
InChIKeySKRCWVDSMPOFKV-UHFFFAOYSA-N
MW453.61 g/mol
LogP4.87
Rot. Bonds6

About N-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide

N-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide (PubChem CID 155135332) has the molecular formula C25H31N3O3S and a molecular weight of 453.61 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide
PubChem CID155135332
Molecular FormulaC25H31N3O3S
Molecular Weight453.61 g/mol
Exact Mass453.21
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide
SMILESCC(C)CC(C)(O)c1ccnc2c(N(C)C)c(C(=O)NC3CCOc4ccccc43)sc12
InChIInChI=1S/C25H31N3O3S/c1-15(2)14-25(3,30)17-10-12-26-20-21(28(4)5)23(32-22(17)20)24(29)27-18-11-13-31-19-9-7-6-8-16(18)19/h6-10,12,15,18,30H,11,13-14H2,1-5H3,(H,27,29)
InChIKeySKRCWVDSMPOFKV-UHFFFAOYSA-N
XLogP4.87
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(3,5-difluorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide
CID 155135421
magnesium;7-acetyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(1-ethoxyethenyl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(2-hydroxy-4-methylpent-3-en-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-(4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide;N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(dimethylamino)-7-[(E)-4-methylpent-2-en-2-yl]thieno[3,2-b]pyridine-2-carboxamide;2-methylprop-1-ene;bromide
CID 158491501
7-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide
CID 155138476
7-cyclohexyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide
CID 155138721
N-(3,4-dihydro-2H-chromen-4-yl)-7-(2-hydroxycyclohexyl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide
CID 155125928
7-(2-chloro-4-pyridinyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-fluoropropan-2-yl)thieno[3,2-b]pyridine-2-carboxamide
CID 155135571
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-7-(3,6-dihydro-2H-pyran-4-yl)-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide
CID 155138717
7-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-fluoro-3-(2-hydroxypropan-2-yl)thieno[3,2-b]pyridine-2-carboxamide
CID 155138176
7-(3-chlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-prop-1-en-2-ylthieno[3,2-b]pyridine-2-carboxamide
CID 155698070
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methoxy-7-phenylthieno[2,3-c]pyridine-2-carboxamide
CID 162493581
3-bromo-7-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]thieno[3,2-b]pyridine-2-carboxamide;3-bromo-7-chlorothieno[3,2-b]pyridine-2-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine
CID 159793527
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 8927968

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide (CID 155135332) is N-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide is CC(C)CC(C)(O)c1ccnc2c(N(C)C)c(C(=O)NC3CCOc4ccccc43)sc12.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide?
The InChIKey is SKRCWVDSMPOFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3S/c1-15(2)14-25(3,30)17-10-12-26-20-21(28(4)5)23(32-22(17)20)24(29)27-18-11-13-31-19-9-7-6-8-16(18)19/h6-10,12,15,18,30H,11,13-14H2,1-5H3,(H,27,29).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide?
N-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 453.61 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)-7-(2-hydroxy-4-methylpentan-2-yl)thieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 155135332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).