3-amino-1-[1-[2-(methylcarbamoylamino)thieno[2,3-b]pyridine-3-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidine-3-carboxamide

C24H35N7O3S — CID 143727208

IUPAC3-amino-1-[1-[2-(methylcarbamoylamino)thieno[2,3-b]pyridine-3-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCNC(=O)Nc1sc2ncccc2c1C(=O)N1CCC(N2CCCC(N)(C(=O)NC(C)C)C2)CC1
InChIInChI=1S/C24H35N7O3S/c1-15(2)28-22(33)24(25)9-5-11-31(14-24)16-7-12-30(13-8-16)21(32)18-17-6-4-10-27-19(17)35-20(18)29-23(34)26-3/h4,6,10,15-16H,5,7-9,11-14,25H2,1-3H3,(H,28,33)(H2,26,29,34)
InChIKeyATHZXPLEFNWEJV-UHFFFAOYSA-N
MW501.66 g/mol
LogP1.97
Rot. Bonds5

About 3-amino-1-[1-[2-(methylcarbamoylamino)thieno[2,3-b]pyridine-3-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidine-3-carboxamide

3-amino-1-[1-[2-(methylcarbamoylamino)thieno[2,3-b]pyridine-3-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 143727208) has the molecular formula C24H35N7O3S and a molecular weight of 501.66 g/mol. Its IUPAC name is 3-amino-1-[1-[2-(methylcarbamoylamino)thieno[2,3-b]pyridine-3-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name3-amino-1-[1-[2-(methylcarbamoylamino)thieno[2,3-b]pyridine-3-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID143727208
Molecular FormulaC24H35N7O3S
Molecular Weight501.66 g/mol
Exact Mass501.25
IUPAC Name3-amino-1-[1-[2-(methylcarbamoylamino)thieno[2,3-b]pyridine-3-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidine-3-carboxamide
SMILESCNC(=O)Nc1sc2ncccc2c1C(=O)N1CCC(N2CCCC(N)(C(=O)NC(C)C)C2)CC1
InChIInChI=1S/C24H35N7O3S/c1-15(2)28-22(33)24(25)9-5-11-31(14-24)16-7-12-30(13-8-16)21(32)18-17-6-4-10-27-19(17)35-20(18)29-23(34)26-3/h4,6,10,15-16H,5,7-9,11-14,25H2,1-3H3,(H,28,33)(H2,26,29,34)
InChIKeyATHZXPLEFNWEJV-UHFFFAOYSA-N
XLogP1.97
TPSA132.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.66
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-[6-methyl-2-(methylcarbamoylamino)thieno[2,3-b]pyridine-3-carbonyl]piperidin-4-yl]-N-propan-2-yl-3-sulfanylpiperidine-3-carboxamide
CID 143727204
[3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid
CID 68664637
1-ethyl-3-[3-[4-(2-methyl-4-oxo-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]urea
CID 24957449
[3-[4-(3,3-dimethyl-1-oxo-2-oxa-9-azaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]urea
CID 59279691
[6-methyl-3-[4-(1-oxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamic acid
CID 68666227
[3-[4-(3-ethyl-2,4-dioxo-1-thia-3,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea
CID 59373310
tert-butyl N-[6-methyl-3-[4-(2-methyl-4-oxo-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-9-yl)piperidine-1-carbonyl]thieno[2,3-b]pyridin-2-yl]carbamate
CID 59279665
ethyl 3-(2-amino-2-oxoethyl)-1-[3-ethoxycarbonyl-1-[2-(propan-2-ylcarbamoylamino)-1-benzothiophene-3-carbonyl]piperidin-4-yl]piperidine-3-carboxylate
CID 68666749
3,3-dimethyl-9-[1-[2-(methylamino)-1-benzothiophene-3-carbonyl]piperidin-4-yl]-2-oxa-9-azaspiro[4.5]decan-1-one;molecular hydrogen
CID 177055059
1-ethyl-3-[3-[4-[3-(3-methoxypropyl)-2-methyl-4-oxo-1,3,9-triazaspiro[4.5]dec-1-en-9-yl]piperidine-1-carbonyl]-1-benzothiophen-2-yl]urea
CID 59373556
9-[1-(2-amino-6-methylthieno[2,3-b]pyridine-3-carbonyl)piperidin-4-yl]-2-methyl-3-propan-2-yl-1,3,9-triazaspiro[4.5]dec-1-en-4-one
CID 59279757
tert-butyl N-[3-[4-(1,3-dioxo-2-propan-2-yl-2,9-diazaspiro[4.5]decan-9-yl)piperidine-1-carbonyl]-5,6-dimethylthieno[2,3-b]pyridin-2-yl]carbamate
CID 59279771

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[1-[2-(methylcarbamoylamino)thieno[2,3-b]pyridine-3-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of 3-amino-1-[1-[2-(methylcarbamoylamino)thieno[2,3-b]pyridine-3-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidine-3-carboxamide (CID 143727208) is 3-amino-1-[1-[2-(methylcarbamoylamino)thieno[2,3-b]pyridine-3-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 3-amino-1-[1-[2-(methylcarbamoylamino)thieno[2,3-b]pyridine-3-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 3-amino-1-[1-[2-(methylcarbamoylamino)thieno[2,3-b]pyridine-3-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidine-3-carboxamide is CNC(=O)Nc1sc2ncccc2c1C(=O)N1CCC(N2CCCC(N)(C(=O)NC(C)C)C2)CC1.
What is the InChIKey of 3-amino-1-[1-[2-(methylcarbamoylamino)thieno[2,3-b]pyridine-3-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is ATHZXPLEFNWEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7O3S/c1-15(2)28-22(33)24(25)9-5-11-31(14-24)16-7-12-30(13-8-16)21(32)18-17-6-4-10-27-19(17)35-20(18)29-23(34)26-3/h4,6,10,15-16H,5,7-9,11-14,25H2,1-3H3,(H,28,33)(H2,26,29,34).
What are the key properties of 3-amino-1-[1-[2-(methylcarbamoylamino)thieno[2,3-b]pyridine-3-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidine-3-carboxamide?
3-amino-1-[1-[2-(methylcarbamoylamino)thieno[2,3-b]pyridine-3-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 501.66 g/mol, XLogP of 1.97, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[1-[2-(methylcarbamoylamino)thieno[2,3-b]pyridine-3-carbonyl]piperidin-4-yl]-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 143727208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).