N-(6-oxaspiro[3.5]nonan-7-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide

C16H20N4O2 — CID 166269415

IUPACN-(6-oxaspiro[3.5]nonan-7-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESO=C(NCC1CCC2(CCC2)CO1)c1c[nH]c2ncncc12
InChIInChI=1S/C16H20N4O2/c21-15(13-8-18-14-12(13)7-17-10-20-14)19-6-11-2-5-16(9-22-11)3-1-4-16/h7-8,10-11H,1-6,9H2,(H,19,21)(H,17,18,20)
InChIKeyCDJFYFUAWIHGQP-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.04
Rot. Bonds3

About N-(6-oxaspiro[3.5]nonan-7-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide

N-(6-oxaspiro[3.5]nonan-7-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide (PubChem CID 166269415) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(6-oxaspiro[3.5]nonan-7-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(6-oxaspiro[3.5]nonan-7-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
PubChem CID166269415
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-(6-oxaspiro[3.5]nonan-7-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
SMILESO=C(NCC1CCC2(CCC2)CO1)c1c[nH]c2ncncc12
InChIInChI=1S/C16H20N4O2/c21-15(13-8-18-14-12(13)7-17-10-20-14)19-6-11-2-5-16(9-22-11)3-1-4-16/h7-8,10-11H,1-6,9H2,(H,19,21)(H,17,18,20)
InChIKeyCDJFYFUAWIHGQP-UHFFFAOYSA-N
XLogP2.04
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 167804602
N-(2-oxa-7-azaspiro[4.4]nonan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 167774200
N-(2,9-dioxaspiro[5.5]undecan-3-ylmethyl)-3,5-dimethylpyridine-2-carboxamide
CID 136559330
4-methyl-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 118741564
2-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 118741565
4-amino-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236289
5-bromo-N-[(2,2-difluorospiro[2.4]heptan-6-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 166358771
3-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 105068087
4-amino-6-methyl-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81236449
7H-pyrrolo[2,3-d]pyrimidine-5-carbothioamide
CID 19431529
5-amino-N-(2-oxa-9-azaspiro[5.5]undecan-3-ylmethyl)-1H-indole-2-carboxamide
CID 146104826
N-[(5,5-dimethyloxan-2-yl)methyl]-6-methoxypyrimidine-4-carboxamide
CID 136565765

Frequently Asked Questions

What is the IUPAC name of N-(6-oxaspiro[3.5]nonan-7-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-(6-oxaspiro[3.5]nonan-7-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide (CID 166269415) is N-(6-oxaspiro[3.5]nonan-7-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(6-oxaspiro[3.5]nonan-7-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-(6-oxaspiro[3.5]nonan-7-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide is O=C(NCC1CCC2(CCC2)CO1)c1c[nH]c2ncncc12.
What is the InChIKey of N-(6-oxaspiro[3.5]nonan-7-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is CDJFYFUAWIHGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-15(13-8-18-14-12(13)7-17-10-20-14)19-6-11-2-5-16(9-22-11)3-1-4-16/h7-8,10-11H,1-6,9H2,(H,19,21)(H,17,18,20).
What are the key properties of N-(6-oxaspiro[3.5]nonan-7-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide?
N-(6-oxaspiro[3.5]nonan-7-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxaspiro[3.5]nonan-7-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 166269415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).