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

C20H22N4O2S — CID 52946076

IUPAC2-(3-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESCOc1cccc(-c2cc3c(N[C@H]4CCCNC4)ncc(C(N)=O)c3s2)c1
InChIInChI=1S/C20H22N4O2S/c1-26-14-6-2-4-12(8-14)17-9-15-18(27-17)16(19(21)25)11-23-20(15)24-13-5-3-7-22-10-13/h2,4,6,8-9,11,13,22H,3,5,7,10H2,1H3,(H2,21,25)(H,23,24)/t13-/m0/s1
InChIKeyCKZUUPZMLCZYML-ZDUSSCGKSA-N
MW382.49 g/mol
LogP3.23
Rot. Bonds5

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

2-(3-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (PubChem CID 52946076) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
PubChem CID52946076
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Name2-(3-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide
SMILESCOc1cccc(-c2cc3c(N[C@H]4CCCNC4)ncc(C(N)=O)c3s2)c1
InChIInChI=1S/C20H22N4O2S/c1-26-14-6-2-4-12(8-14)17-9-15-18(27-17)16(19(21)25)11-23-20(15)24-13-5-3-7-22-10-13/h2,4,6,8-9,11,13,22H,3,5,7,10H2,1H3,(H2,21,25)(H,23,24)/t13-/m0/s1
InChIKeyCKZUUPZMLCZYML-ZDUSSCGKSA-N
XLogP3.23
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Chk1-IN-2
CID 11951901
N-[2-(dimethylamino)ethyl]-4-methoxy-3-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]benzamide
CID 127024862
N-[2-(dimethylamino)ethyl]-3-methoxy-4-[4-[[(1R)-1-phenylethyl]amino]thieno[2,3-d]pyrimidin-6-yl]benzamide
CID 127026710
3-[(3-methoxyphenyl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[2,3-d]pyrimidin-4-one
CID 156012925
6-(2-Amino-4-pyridinyl)-3-[(3-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-one
CID 156021995
(S)-2-phenyl-4-(piperidin-3-ylamino)thieno[3,2-c]pyridine-7-carboxamide
CID 11842628
4-[methyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
CID 11951728
4-[ethyl-[(3S)-piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
CID 11952439
4-[[(2R,3S)-2-(2-hydroxyethyl)piperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
CID 69010662
4-[[(3S)-1-methylpiperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
CID 69011075
4-[[(2S,3S)-2-methylpiperidin-3-yl]amino]-2-phenylthieno[3,2-c]pyridine-7-carboxamide
CID 69012259
2-phenyl-4-[[(3S)-piperidin-3-yl]amino]furo[3,2-c]pyridine-7-carboxamide
CID 69013144

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 2-(3-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide (CID 52946076) is 2-(3-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 2-(3-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is COc1cccc(-c2cc3c(N[C@H]4CCCNC4)ncc(C(N)=O)c3s2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is CKZUUPZMLCZYML-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-26-14-6-2-4-12(8-14)17-9-15-18(27-17)16(19(21)25)11-23-20(15)24-13-5-3-7-22-10-13/h2,4,6,8-9,11,13,22H,3,5,7,10H2,1H3,(H2,21,25)(H,23,24)/t13-/m0/s1.
What are the key properties of 2-(3-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide?
2-(3-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 382.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4-[[(3S)-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 52946076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).