(3R)-1-methyl-8-(1-methylpyrrole-2-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

C20H24N4O2 — CID 97469570

IUPAC(3R)-1-methyl-8-(1-methylpyrrole-2-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)[C@@H](c2cccnc2)CC12CCN(C(=O)c1cccn1C)CC2
InChIInChI=1S/C20H24N4O2/c1-22-10-4-6-17(22)19(26)24-11-7-20(8-12-24)13-16(18(25)23(20)2)15-5-3-9-21-14-15/h3-6,9-10,14,16H,7-8,11-13H2,1-2H3/t16-/m1/s1
InChIKeyQQAKWUFSCJNJNU-MRXNPFEDSA-N
MW352.44 g/mol
LogP2.04
Rot. Bonds2

About (3R)-1-methyl-8-(1-methylpyrrole-2-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one

(3R)-1-methyl-8-(1-methylpyrrole-2-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97469570) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (3R)-1-methyl-8-(1-methylpyrrole-2-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(3R)-1-methyl-8-(1-methylpyrrole-2-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97469570
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(3R)-1-methyl-8-(1-methylpyrrole-2-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)[C@@H](c2cccnc2)CC12CCN(C(=O)c1cccn1C)CC2
InChIInChI=1S/C20H24N4O2/c1-22-10-4-6-17(22)19(26)24-11-7-20(8-12-24)13-16(18(25)23(20)2)15-5-3-9-21-14-15/h3-6,9-10,14,16H,7-8,11-13H2,1-2H3/t16-/m1/s1
InChIKeyQQAKWUFSCJNJNU-MRXNPFEDSA-N
XLogP2.04
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-8-(2-methylfuran-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 118739746
(3S)-1-methyl-8-(5-methyl-1,2-oxazole-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469573
(3S)-1-methyl-3-phenyl-8-(pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97469506
(3R)-1-methyl-8-methylsulfonyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469575
(3R)-1-methyl-3-phenyl-8-(2-pyridin-3-ylacetyl)-1,8-diazaspiro[4.5]decan-2-one
CID 97195631
8-(5-fluoropyrimidin-2-yl)-1-methyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131654715
(3S)-8-(5-fluoropyrimidin-2-yl)-1-methyl-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97406702
(1-methylpyrrol-2-yl)-[(3R)-3-pyridin-3-yloxy-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97395044
(3R)-1-ethyl-8-(furan-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469579
(3S)-1-ethyl-8-(furan-3-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one
CID 97469578
(3S)-8-(4-hydroxybenzoyl)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97188134
(3R)-1-methyl-8-(4-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97186506

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-8-(1-methylpyrrole-2-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of (3R)-1-methyl-8-(1-methylpyrrole-2-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one (CID 97469570) is (3R)-1-methyl-8-(1-methylpyrrole-2-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (3R)-1-methyl-8-(1-methylpyrrole-2-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (3R)-1-methyl-8-(1-methylpyrrole-2-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is CN1C(=O)[C@@H](c2cccnc2)CC12CCN(C(=O)c1cccn1C)CC2.
What is the InChIKey of (3R)-1-methyl-8-(1-methylpyrrole-2-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is QQAKWUFSCJNJNU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-22-10-4-6-17(22)19(26)24-11-7-20(8-12-24)13-16(18(25)23(20)2)15-5-3-9-21-14-15/h3-6,9-10,14,16H,7-8,11-13H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-1-methyl-8-(1-methylpyrrole-2-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one?
(3R)-1-methyl-8-(1-methylpyrrole-2-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 352.44 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-8-(1-methylpyrrole-2-carbonyl)-3-pyridin-3-yl-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97469570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).