1-(pyridin-3-ylmethyl)-9-(1H-pyrrole-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one

C20H24N4O2 — CID 134076661

IUPAC1-(pyridin-3-ylmethyl)-9-(1H-pyrrole-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESO=C(c1ccc[nH]1)N1CCCC2(CCC(=O)N2Cc2cccnc2)CC1
InChIInChI=1S/C20H24N4O2/c25-18-6-8-20(24(18)15-16-4-1-10-21-14-16)7-3-12-23(13-9-20)19(26)17-5-2-11-22-17/h1-2,4-5,10-11,14,22H,3,6-9,12-13,15H2
InChIKeyUGGFKILRIVOHNX-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.60
Rot. Bonds3

About 1-(pyridin-3-ylmethyl)-9-(1H-pyrrole-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one

1-(pyridin-3-ylmethyl)-9-(1H-pyrrole-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one (PubChem CID 134076661) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(pyridin-3-ylmethyl)-9-(1H-pyrrole-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name1-(pyridin-3-ylmethyl)-9-(1H-pyrrole-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
PubChem CID134076661
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-(pyridin-3-ylmethyl)-9-(1H-pyrrole-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one
SMILESO=C(c1ccc[nH]1)N1CCCC2(CCC(=O)N2Cc2cccnc2)CC1
InChIInChI=1S/C20H24N4O2/c25-18-6-8-20(24(18)15-16-4-1-10-21-14-16)7-3-12-23(13-9-20)19(26)17-5-2-11-22-17/h1-2,4-5,10-11,14,22H,3,6-9,12-13,15H2
InChIKeyUGGFKILRIVOHNX-UHFFFAOYSA-N
XLogP2.60
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-9-(3-methoxypropanoyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485114
8-(2,2-dimethylpropanoyl)-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 155873980
(5R)-9-methylsulfonyl-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485089
9-(3-methoxypropanoyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one;2,2,2-trifluoroacetic acid
CID 155841882
(5S)-9-[(2S)-oxolane-2-carbonyl]-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97473214
(5S)-9-(5-fluoropyrimidin-2-yl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 97485087
1-[(3-fluorophenyl)methyl]-9-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.6]undecan-2-one
CID 131663162
1-(pyridin-4-ylmethyl)-8-(pyrrolidine-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493882
9-(2-phenylethyl)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 118743992
1-ethyl-8-(pyridine-3-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493701
1-benzyl-8-(1-methylpyrazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493911
8-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97493832

Frequently Asked Questions

What is the IUPAC name of 1-(pyridin-3-ylmethyl)-9-(1H-pyrrole-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 1-(pyridin-3-ylmethyl)-9-(1H-pyrrole-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one (CID 134076661) is 1-(pyridin-3-ylmethyl)-9-(1H-pyrrole-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 1-(pyridin-3-ylmethyl)-9-(1H-pyrrole-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 1-(pyridin-3-ylmethyl)-9-(1H-pyrrole-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one is O=C(c1ccc[nH]1)N1CCCC2(CCC(=O)N2Cc2cccnc2)CC1.
What is the InChIKey of 1-(pyridin-3-ylmethyl)-9-(1H-pyrrole-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is UGGFKILRIVOHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-18-6-8-20(24(18)15-16-4-1-10-21-14-16)7-3-12-23(13-9-20)19(26)17-5-2-11-22-17/h1-2,4-5,10-11,14,22H,3,6-9,12-13,15H2.
What are the key properties of 1-(pyridin-3-ylmethyl)-9-(1H-pyrrole-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one?
1-(pyridin-3-ylmethyl)-9-(1H-pyrrole-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 352.44 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridin-3-ylmethyl)-9-(1H-pyrrole-2-carbonyl)-1,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 134076661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).