9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one

C19H20N4O2 — CID 118746282

IUPAC9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccncc1)N1CCCC2(CCN(c3cccnc3)C2=O)C1
InChIInChI=1S/C19H20N4O2/c24-17(15-4-9-20-10-5-15)22-11-2-6-19(14-22)7-12-23(18(19)25)16-3-1-8-21-13-16/h1,3-5,8-10,13H,2,6-7,11-12,14H2
InChIKeyRMJWJJMRUKDUNU-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.14
Rot. Bonds2

About 9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one

9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 118746282) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID118746282
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(c1ccncc1)N1CCCC2(CCN(c3cccnc3)C2=O)C1
InChIInChI=1S/C19H20N4O2/c24-17(15-4-9-20-10-5-15)22-11-2-6-19(14-22)7-12-23(18(19)25)16-3-1-8-21-13-16/h1,3-5,8-10,13H,2,6-7,11-12,14H2
InChIKeyRMJWJJMRUKDUNU-UHFFFAOYSA-N
XLogP2.14
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one (CID 118746282) is 9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one is O=C(c1ccncc1)N1CCCC2(CCN(c3cccnc3)C2=O)C1.
What is the InChIKey of 9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is RMJWJJMRUKDUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-17(15-4-9-20-10-5-15)22-11-2-6-19(14-22)7-12-23(18(19)25)16-3-1-8-21-13-16/h1,3-5,8-10,13H,2,6-7,11-12,14H2.
What are the key properties of 9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one?
9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 336.39 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 118746282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).