3-amino-N-[2-[4-(1,9-diazaspiro[4.5]decan-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C25H31N5OS — CID 147495106

IUPAC3-amino-N-[2-[4-(1,9-diazaspiro[4.5]decan-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCC45CCCNC5)cc3)sc2n1
InChIInChI=1S/C25H31N5OS/c1-17-4-9-20-21(26)22(32-24(20)29-17)23(31)28-14-10-18-5-7-19(8-6-18)30-15-3-12-25(30)11-2-13-27-16-25/h4-9,27H,2-3,10-16,26H2,1H3,(H,28,31)
InChIKeyFGHFEFCYVUDVPH-UHFFFAOYSA-N
MW449.62 g/mol
LogP3.88
Rot. Bonds5

About 3-amino-N-[2-[4-(1,9-diazaspiro[4.5]decan-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-[4-(1,9-diazaspiro[4.5]decan-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 147495106) has the molecular formula C25H31N5OS and a molecular weight of 449.62 g/mol. Its IUPAC name is 3-amino-N-[2-[4-(1,9-diazaspiro[4.5]decan-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[4-(1,9-diazaspiro[4.5]decan-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID147495106
Molecular FormulaC25H31N5OS
Molecular Weight449.62 g/mol
Exact Mass449.22
IUPAC Name3-amino-N-[2-[4-(1,9-diazaspiro[4.5]decan-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCC45CCCNC5)cc3)sc2n1
InChIInChI=1S/C25H31N5OS/c1-17-4-9-20-21(26)22(32-24(20)29-17)23(31)28-14-10-18-5-7-19(8-6-18)30-15-3-12-25(30)11-2-13-27-16-25/h4-9,27H,2-3,10-16,26H2,1H3,(H,28,31)
InChIKeyFGHFEFCYVUDVPH-UHFFFAOYSA-N
XLogP3.88
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.62
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[(4-chlorophenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 714286
3-Amino-N-(2,3-dimethylphenyl)-6,7-dihydro-5H-cyclopenta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 612420
3-amino-N-(4-fluorophenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 712295
3-amino-N-(3,4-dimethylphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 798344
3-amino-N-(4-fluorophenyl)-4-phenyl-6-(2-thienyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1772579
2-(1-Piperidinylcarbonyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
CID 697512
6-Phenyl-2-(pyrrolidine-1-carbonyl)thieno(2,3-b)pyridin-3-amine
CID 3726387
3-Amino-N-(2,3-DI-ME-PH)-5,6,7,8-tetrahydrothieno(2,3-B)quinoline-2-carboxamide
CID 615708
3-Amino-N-(2-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 1023422
3-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
CID 3289443
A-794282
CID 11530404
3-Amino-N-benzyl-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 734373

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[4-(1,9-diazaspiro[4.5]decan-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-[4-(1,9-diazaspiro[4.5]decan-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 147495106) is 3-amino-N-[2-[4-(1,9-diazaspiro[4.5]decan-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[4-(1,9-diazaspiro[4.5]decan-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-[4-(1,9-diazaspiro[4.5]decan-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCCC45CCCNC5)cc3)sc2n1.
What is the InChIKey of 3-amino-N-[2-[4-(1,9-diazaspiro[4.5]decan-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is FGHFEFCYVUDVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5OS/c1-17-4-9-20-21(26)22(32-24(20)29-17)23(31)28-14-10-18-5-7-19(8-6-18)30-15-3-12-25(30)11-2-13-27-16-25/h4-9,27H,2-3,10-16,26H2,1H3,(H,28,31).
What are the key properties of 3-amino-N-[2-[4-(1,9-diazaspiro[4.5]decan-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-[4-(1,9-diazaspiro[4.5]decan-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 449.62 g/mol, XLogP of 3.88, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[4-(1,9-diazaspiro[4.5]decan-1-yl)phenyl]ethyl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 147495106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).