2-phenyl-4-[2-phenylethyl-[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

C27H28N4OS — CID 69011426

IUPAC2-phenyl-4-[2-phenylethyl-[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N(CCc2ccccc2)[C@H]2CCCNC2)c2cc(-c3ccccc3)sc12
InChIInChI=1S/C27H28N4OS/c28-26(32)23-18-30-27(22-16-24(33-25(22)23)20-10-5-2-6-11-20)31(21-12-7-14-29-17-21)15-13-19-8-3-1-4-9-19/h1-6,8-11,16,18,21,29H,7,12-15,17H2,(H2,28,32)/t21-/m0/s1
InChIKeyNEWBEAKFVLKLNW-NRFANRHFSA-N
MW456.62 g/mol
LogP4.86
Rot. Bonds7

About 2-phenyl-4-[2-phenylethyl-[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide

2-phenyl-4-[2-phenylethyl-[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 69011426) has the molecular formula C27H28N4OS and a molecular weight of 456.62 g/mol. Its IUPAC name is 2-phenyl-4-[2-phenylethyl-[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-phenyl-4-[2-phenylethyl-[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID69011426
Molecular FormulaC27H28N4OS
Molecular Weight456.62 g/mol
Exact Mass456.20
IUPAC Name2-phenyl-4-[2-phenylethyl-[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(N(CCc2ccccc2)[C@H]2CCCNC2)c2cc(-c3ccccc3)sc12
InChIInChI=1S/C27H28N4OS/c28-26(32)23-18-30-27(22-16-24(33-25(22)23)20-10-5-2-6-11-20)31(21-12-7-14-29-17-21)15-13-19-8-3-1-4-9-19/h1-6,8-11,16,18,21,29H,7,12-15,17H2,(H2,28,32)/t21-/m0/s1
InChIKeyNEWBEAKFVLKLNW-NRFANRHFSA-N
XLogP4.86
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.62
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-phenyl-4-[2-phenylethyl-[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide with MolForge

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Related Compounds

4-Amino-2-[4-(Tert-Butylsulfamoyl)phenyl]-N-Methylthieno[3,2-C]pyridine-7-Carboxamide
CID 53497572
4-amino-2-(4-(tert-butylsulfamoyl)phenyl)-N-(2-(morpholin-4-yl)ethyl)thieno(3,2-c)pyridine-7-carboxamide
CID 56834889
2-(3-fluorophenyl)-4-[[(3~{S})-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
CID 11951723
Chk1-IN-2
CID 11951901
7-Amino-4-(3-phenylphenyl)thieno[2,3-c]pyridine-2-carboxamide
CID 25218756
2-(4-Chlorophenyl)-4-[(3s)-Piperidin-3-Ylamino]thieno[3,2-C]pyridine-7-Carboxamide
CID 44133237
4-Amino-N-Methyl-2-[4-(Morpholin-4-Yl)phenyl]thieno[3,2-C]pyridine-7-Carboxamide
CID 53497571
Benzothienopyrimidinone deriv., 16b
CID 135927964
N-[1-[[(2R)-1-oxo-1-[[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]amino]-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
CID 10122346
4-amino-N-methyl-3-[4-[(3-methylphenyl)carbamoylamino]phenyl]thieno[3,2-c]pyridine-7-carboxamide
CID 18450846
(E)-N-methyl-N-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-(7-oxospiro[5,8-dihydro-1,8-naphthyridine-6,4'-piperidine]-3-yl)prop-2-enamide
CID 23658223
N-[4-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]cyclohexyl]pyridine-3-carboxamide
CID 72700634

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[2-phenylethyl-[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 2-phenyl-4-[2-phenylethyl-[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (CID 69011426) is 2-phenyl-4-[2-phenylethyl-[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-phenyl-4-[2-phenylethyl-[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 2-phenyl-4-[2-phenylethyl-[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(N(CCc2ccccc2)[C@H]2CCCNC2)c2cc(-c3ccccc3)sc12.
What is the InChIKey of 2-phenyl-4-[2-phenylethyl-[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is NEWBEAKFVLKLNW-NRFANRHFSA-N. The full InChI is InChI=1S/C27H28N4OS/c28-26(32)23-18-30-27(22-16-24(33-25(22)23)20-10-5-2-6-11-20)31(21-12-7-14-29-17-21)15-13-19-8-3-1-4-9-19/h1-6,8-11,16,18,21,29H,7,12-15,17H2,(H2,28,32)/t21-/m0/s1.
What are the key properties of 2-phenyl-4-[2-phenylethyl-[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
2-phenyl-4-[2-phenylethyl-[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 456.62 g/mol, XLogP of 4.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[2-phenylethyl-[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 69011426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).