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

C24H29N5O2S — CID 153311010

IUPAC3-amino-6-methyl-N-[2-[4-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCC5(CNCCO5)C4)cc3)sc2n1
InChIInChI=1S/C24H29N5O2S/c1-16-2-7-19-20(25)21(32-23(19)28-16)22(30)27-10-8-17-3-5-18(6-4-17)29-12-9-24(15-29)14-26-11-13-31-24/h2-7,26H,8-15,25H2,1H3,(H,27,30)
InChIKeyYFNCJZDINCZFFH-UHFFFAOYSA-N
MW451.60 g/mol
LogP2.73
Rot. Bonds5

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

3-amino-6-methyl-N-[2-[4-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 153311010) has the molecular formula C24H29N5O2S and a molecular weight of 451.60 g/mol. Its IUPAC name is 3-amino-6-methyl-N-[2-[4-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-N-[2-[4-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID153311010
Molecular FormulaC24H29N5O2S
Molecular Weight451.60 g/mol
Exact Mass451.20
IUPAC Name3-amino-6-methyl-N-[2-[4-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCC5(CNCCO5)C4)cc3)sc2n1
InChIInChI=1S/C24H29N5O2S/c1-16-2-7-19-20(25)21(32-23(19)28-16)22(30)27-10-8-17-3-5-18(6-4-17)29-12-9-24(15-29)14-26-11-13-31-24/h2-7,26H,8-15,25H2,1H3,(H,27,30)
InChIKeyYFNCJZDINCZFFH-UHFFFAOYSA-N
XLogP2.73
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.60
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-[2-[4-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-N-[2-[4-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide (CID 153311010) is 3-amino-6-methyl-N-[2-[4-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-N-[2-[4-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-N-[2-[4-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCC5(CNCCO5)C4)cc3)sc2n1.
What is the InChIKey of 3-amino-6-methyl-N-[2-[4-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is YFNCJZDINCZFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2S/c1-16-2-7-19-20(25)21(32-23(19)28-16)22(30)27-10-8-17-3-5-18(6-4-17)29-12-9-24(15-29)14-26-11-13-31-24/h2-7,26H,8-15,25H2,1H3,(H,27,30).
What are the key properties of 3-amino-6-methyl-N-[2-[4-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-methyl-N-[2-[4-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 451.60 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-N-[2-[4-(6-oxa-2,9-diazaspiro[4.5]decan-2-yl)phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 153311010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).