N-[3-cyano-7-(cyclopropanecarbonyl)-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl]naphthalene-1-carboxamide

C23H19N3O2S — CID 16664858

IUPACN-[3-cyano-7-(cyclopropanecarbonyl)-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl]naphthalene-1-carboxamide
SMILESN#Cc1c(NC(=O)c2cccc3ccccc23)sc2c1CCCN2C(=O)C1CC1
InChIInChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27)
InChIKeyKTBZRPANEUUZDW-UHFFFAOYSA-N
MW401.49 g/mol
LogP4.71
Rot. Bonds3

About N-[3-cyano-7-(cyclopropanecarbonyl)-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl]naphthalene-1-carboxamide

N-[3-cyano-7-(cyclopropanecarbonyl)-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl]naphthalene-1-carboxamide (PubChem CID 16664858) has the molecular formula C23H19N3O2S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[3-cyano-7-(cyclopropanecarbonyl)-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-7-(cyclopropanecarbonyl)-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl]naphthalene-1-carboxamide
PubChem CID16664858
Molecular FormulaC23H19N3O2S
Molecular Weight401.49 g/mol
Exact Mass401.12
IUPAC NameN-[3-cyano-7-(cyclopropanecarbonyl)-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl]naphthalene-1-carboxamide
SMILESN#Cc1c(NC(=O)c2cccc3ccccc23)sc2c1CCCN2C(=O)C1CC1
InChIInChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27)
InChIKeyKTBZRPANEUUZDW-UHFFFAOYSA-N
XLogP4.71
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

JNK inhibitor IX
CID 766949
N-(3-cyano-5-methyl-4-phenylthien-2-yl)-3-methylbenzamide
CID 1225299
2-(benzylamino)-6-(4-fluorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 118735966
N-{3-Cyano-6-[3-(1-Piperidinyl)propanoyl]-4,5,6,7-Tetrahydrothieno[2,3-C]pyridin-2-Yl}1-Naphthalenecarboxamide
CID 15991561
4-benzoyl-N-(3-cyano-5,5,7,7-tetramethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)benzamide
CID 4361291
2-(2-Naphthamido)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide hydrochloride
CID 16806297
Sdccggsk-0000356.P001
CID 44431824
N-[3-cyano-7-[(4-methylsulfonylphenyl)methyl]-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl]naphthalene-1-carboxamide
CID 44431832
N-[6-acetyl-3-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]cyclopropanecarboxamide
CID 11740632
N-[6-acetyl-3-(2-methylbenzoyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-2-methylpropanamide
CID 44288431
N-(6-acetyl-3-benzoyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)cyclopropanecarboxamide
CID 44288544
6-benzoyl-2-(benzylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonitrile
CID 118735965

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-7-(cyclopropanecarbonyl)-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[3-cyano-7-(cyclopropanecarbonyl)-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl]naphthalene-1-carboxamide (CID 16664858) is N-[3-cyano-7-(cyclopropanecarbonyl)-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-cyano-7-(cyclopropanecarbonyl)-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[3-cyano-7-(cyclopropanecarbonyl)-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl]naphthalene-1-carboxamide is N#Cc1c(NC(=O)c2cccc3ccccc23)sc2c1CCCN2C(=O)C1CC1.
What is the InChIKey of N-[3-cyano-7-(cyclopropanecarbonyl)-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl]naphthalene-1-carboxamide?
The InChIKey is KTBZRPANEUUZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2S/c24-13-19-18-9-4-12-26(22(28)15-10-11-15)23(18)29-21(19)25-20(27)17-8-3-6-14-5-1-2-7-16(14)17/h1-3,5-8,15H,4,9-12H2,(H,25,27).
What are the key properties of N-[3-cyano-7-(cyclopropanecarbonyl)-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl]naphthalene-1-carboxamide?
N-[3-cyano-7-(cyclopropanecarbonyl)-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl]naphthalene-1-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-7-(cyclopropanecarbonyl)-5,6-dihydro-4H-thieno[2,3-b]pyridin-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 16664858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).