N-(2-oxa-7-azaspiro[4.4]nonan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C16H20N4O2 — CID 167774200

IUPACN-(2-oxa-7-azaspiro[4.4]nonan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCC1CC2(CCNC2)CO1)c1c[nH]c2ncccc12
InChIInChI=1S/C16H20N4O2/c21-15(13-8-19-14-12(13)2-1-4-18-14)20-7-11-6-16(10-22-11)3-5-17-9-16/h1-2,4,8,11,17H,3,5-7,9-10H2,(H,18,19)(H,20,21)
InChIKeyPYKGPWJNZZJWRZ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.06
Rot. Bonds3

About N-(2-oxa-7-azaspiro[4.4]nonan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-(2-oxa-7-azaspiro[4.4]nonan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 167774200) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(2-oxa-7-azaspiro[4.4]nonan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-oxa-7-azaspiro[4.4]nonan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID167774200
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(2-oxa-7-azaspiro[4.4]nonan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCC1CC2(CCNC2)CO1)c1c[nH]c2ncccc12
InChIInChI=1S/C16H20N4O2/c21-15(13-8-19-14-12(13)2-1-4-18-14)20-7-11-6-16(10-22-11)3-5-17-9-16/h1-2,4,8,11,17H,3,5-7,9-10H2,(H,18,19)(H,20,21)
InChIKeyPYKGPWJNZZJWRZ-UHFFFAOYSA-N
XLogP1.06
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxa-7-azaspiro[4.4]nonan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-(2-oxa-7-azaspiro[4.4]nonan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 167774200) is N-(2-oxa-7-azaspiro[4.4]nonan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-oxa-7-azaspiro[4.4]nonan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-(2-oxa-7-azaspiro[4.4]nonan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is O=C(NCC1CC2(CCNC2)CO1)c1c[nH]c2ncccc12.
What is the InChIKey of N-(2-oxa-7-azaspiro[4.4]nonan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is PYKGPWJNZZJWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-15(13-8-19-14-12(13)2-1-4-18-14)20-7-11-6-16(10-22-11)3-5-17-9-16/h1-2,4,8,11,17H,3,5-7,9-10H2,(H,18,19)(H,20,21).
What are the key properties of N-(2-oxa-7-azaspiro[4.4]nonan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
N-(2-oxa-7-azaspiro[4.4]nonan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxa-7-azaspiro[4.4]nonan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 167774200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).