3-amino-6-[(3S)-1-[2-(dimethylamino)acetyl]-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

C19H27N5O2S — CID 125013986

IUPAC3-amino-6-[(3S)-1-[2-(dimethylamino)acetyl]-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2nc([C@@]3(C)CCCN(C(=O)CN(C)C)C3)ccc2c1N
InChIInChI=1S/C19H27N5O2S/c1-19(8-5-9-24(11-19)14(25)10-23(3)4)13-7-6-12-15(20)16(17(26)21-2)27-18(12)22-13/h6-7H,5,8-11,20H2,1-4H3,(H,21,26)/t19-/m0/s1
InChIKeyWIYVOYWRTWGQFG-IBGZPJMESA-N
MW389.53 g/mol
LogP1.68
Rot. Bonds4

About 3-amino-6-[(3S)-1-[2-(dimethylamino)acetyl]-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-6-[(3S)-1-[2-(dimethylamino)acetyl]-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 125013986) has the molecular formula C19H27N5O2S and a molecular weight of 389.53 g/mol. Its IUPAC name is 3-amino-6-[(3S)-1-[2-(dimethylamino)acetyl]-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[(3S)-1-[2-(dimethylamino)acetyl]-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID125013986
Molecular FormulaC19H27N5O2S
Molecular Weight389.53 g/mol
Exact Mass389.19
IUPAC Name3-amino-6-[(3S)-1-[2-(dimethylamino)acetyl]-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCNC(=O)c1sc2nc([C@@]3(C)CCCN(C(=O)CN(C)C)C3)ccc2c1N
InChIInChI=1S/C19H27N5O2S/c1-19(8-5-9-24(11-19)14(25)10-23(3)4)13-7-6-12-15(20)16(17(26)21-2)27-18(12)22-13/h6-7H,5,8-11,20H2,1-4H3,(H,21,26)/t19-/m0/s1
InChIKeyWIYVOYWRTWGQFG-IBGZPJMESA-N
XLogP1.68
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.53
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-[1-(2-chloroacetyl)-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 175656495
6-[(3R)-1-acetyl-3-methylpiperidin-3-yl]-3-amino-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 125012013
3-amino-6-[(3S)-1-(2-cyclopentylacetyl)-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 124942471
3-amino-6-[(3R)-1-benzoyl-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 124996320
3-amino-N,N-dimethyl-6-[(3R)-3-methyl-1-propanoylpiperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 125018606
3-amino-N-methyl-6-[(3S)-3-methyl-1-pyrimidin-2-ylpiperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124944371
3-amino-N-methyl-6-[4-methyl-1-(2-methylprop-2-enoyl)piperidin-4-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 175655045
3-amino-N,N-dimethyl-6-[3-methyl-1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110100713
3-amino-N,N-dimethyl-6-[3-methyl-1-(pyrazin-2-ylmethyl)piperidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 110100712
3-amino-6-[(2S)-1-(2-cyclopentylacetyl)piperidin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide
CID 125013566
3-amino-N,N-dimethyl-6-(4-methyl-1-pyrazin-2-ylpiperidin-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 110100727
3-amino-N-methyl-6-[(2S)-1-(2-piperidin-1-ylacetyl)piperidin-2-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 124951356

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(3S)-1-[2-(dimethylamino)acetyl]-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-[(3S)-1-[2-(dimethylamino)acetyl]-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide (CID 125013986) is 3-amino-6-[(3S)-1-[2-(dimethylamino)acetyl]-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[(3S)-1-[2-(dimethylamino)acetyl]-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-[(3S)-1-[2-(dimethylamino)acetyl]-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide is CNC(=O)c1sc2nc([C@@]3(C)CCCN(C(=O)CN(C)C)C3)ccc2c1N.
What is the InChIKey of 3-amino-6-[(3S)-1-[2-(dimethylamino)acetyl]-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is WIYVOYWRTWGQFG-IBGZPJMESA-N. The full InChI is InChI=1S/C19H27N5O2S/c1-19(8-5-9-24(11-19)14(25)10-23(3)4)13-7-6-12-15(20)16(17(26)21-2)27-18(12)22-13/h6-7H,5,8-11,20H2,1-4H3,(H,21,26)/t19-/m0/s1.
What are the key properties of 3-amino-6-[(3S)-1-[2-(dimethylamino)acetyl]-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-[(3S)-1-[2-(dimethylamino)acetyl]-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 389.53 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(3S)-1-[2-(dimethylamino)acetyl]-3-methylpiperidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 125013986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).