3-oxo-N-propyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide

C19H28N4O2 — CID 72877044

IUPAC3-oxo-N-propyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCCCNC(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1
InChIInChI=1S/C19H28N4O2/c1-2-9-21-18(25)22-12-7-19(8-13-22)6-3-17(24)23(15-19)14-16-4-10-20-11-5-16/h4-5,10-11H,2-3,6-9,12-15H2,1H3,(H,21,25)
InChIKeyYOOYRGVSMADEKC-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.41
Rot. Bonds4

About 3-oxo-N-propyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide

3-oxo-N-propyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide (PubChem CID 72877044) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-oxo-N-propyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name3-oxo-N-propyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide
PubChem CID72877044
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name3-oxo-N-propyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide
SMILESCCCNC(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1
InChIInChI=1S/C19H28N4O2/c1-2-9-21-18(25)22-12-7-19(8-13-22)6-3-17(24)23(15-19)14-16-4-10-20-11-5-16/h4-5,10-11H,2-3,6-9,12-15H2,1H3,(H,21,25)
InChIKeyYOOYRGVSMADEKC-UHFFFAOYSA-N
XLogP2.41
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(2S)-2-pyrazol-1-ylbutanoyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 97134429
9-pent-4-enoyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98896397
9-(3-hydroxypyridine-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72872797
9-(3-methylbenzoyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72905211
9-(2-morpholin-4-ylacetyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72896232
9-(4-chloro-1-methylpyrazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72892521
9-(4-methyl-1,3-thiazole-5-carbonyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72940356
9-[2-(2-oxopyrimidin-1-yl)acetyl]-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72850315
9-(3-chlorobenzoyl)-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72839599
N,N-diethyl-3-oxo-2-(2-pyridin-4-ylethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide
CID 72918249
1,1-dimethyl-3-[2-oxo-2-[3-oxo-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[5.5]undecan-8-yl]ethyl]urea
CID 70764104
8-(3-methylbut-2-enoyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98894942

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-propyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 3-oxo-N-propyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide (CID 72877044) is 3-oxo-N-propyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 3-oxo-N-propyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 3-oxo-N-propyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide is CCCNC(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1.
What is the InChIKey of 3-oxo-N-propyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is YOOYRGVSMADEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-2-9-21-18(25)22-12-7-19(8-13-22)6-3-17(24)23(15-19)14-16-4-10-20-11-5-16/h4-5,10-11H,2-3,6-9,12-15H2,1H3,(H,21,25).
What are the key properties of 3-oxo-N-propyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide?
3-oxo-N-propyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-propyl-2-(pyridin-4-ylmethyl)-2,9-diazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 72877044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).