N,N-dimethyl-2-[8-(4-methylpyridine-3-carbonyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide

C24H34N6O3 — CID 146067271

IUPACN,N-dimethyl-2-[8-(4-methylpyridine-3-carbonyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCc1ccncc1C(=O)N1CCC2(CC1)CC(c1nnc(C(C)C)o1)N(CC(=O)N(C)C)C2
InChIInChI=1S/C24H34N6O3/c1-16(2)21-26-27-22(33-21)19-12-24(15-30(19)14-20(31)28(4)5)7-10-29(11-8-24)23(32)18-13-25-9-6-17(18)3/h6,9,13,16,19H,7-8,10-12,14-15H2,1-5H3
InChIKeyJVOFXITUYCRROU-UHFFFAOYSA-N
MW454.58 g/mol
LogP2.65
Rot. Bonds5

About N,N-dimethyl-2-[8-(4-methylpyridine-3-carbonyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide

N,N-dimethyl-2-[8-(4-methylpyridine-3-carbonyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide (PubChem CID 146067271) has the molecular formula C24H34N6O3 and a molecular weight of 454.58 g/mol. Its IUPAC name is N,N-dimethyl-2-[8-(4-methylpyridine-3-carbonyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[8-(4-methylpyridine-3-carbonyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
PubChem CID146067271
Molecular FormulaC24H34N6O3
Molecular Weight454.58 g/mol
Exact Mass454.27
IUPAC NameN,N-dimethyl-2-[8-(4-methylpyridine-3-carbonyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide
SMILESCc1ccncc1C(=O)N1CCC2(CC1)CC(c1nnc(C(C)C)o1)N(CC(=O)N(C)C)C2
InChIInChI=1S/C24H34N6O3/c1-16(2)21-26-27-22(33-21)19-12-24(15-30(19)14-20(31)28(4)5)7-10-29(11-8-24)23(32)18-13-25-9-6-17(18)3/h6,9,13,16,19H,7-8,10-12,14-15H2,1-5H3
InChIKeyJVOFXITUYCRROU-UHFFFAOYSA-N
XLogP2.65
TPSA95.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[8-(4-methylpyridine-3-carbonyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[8-(4-methylpyridine-3-carbonyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide (CID 146067271) is N,N-dimethyl-2-[8-(4-methylpyridine-3-carbonyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[8-(4-methylpyridine-3-carbonyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[8-(4-methylpyridine-3-carbonyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide is Cc1ccncc1C(=O)N1CCC2(CC1)CC(c1nnc(C(C)C)o1)N(CC(=O)N(C)C)C2.
What is the InChIKey of N,N-dimethyl-2-[8-(4-methylpyridine-3-carbonyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
The InChIKey is JVOFXITUYCRROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O3/c1-16(2)21-26-27-22(33-21)19-12-24(15-30(19)14-20(31)28(4)5)7-10-29(11-8-24)23(32)18-13-25-9-6-17(18)3/h6,9,13,16,19H,7-8,10-12,14-15H2,1-5H3.
What are the key properties of N,N-dimethyl-2-[8-(4-methylpyridine-3-carbonyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide?
N,N-dimethyl-2-[8-(4-methylpyridine-3-carbonyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide has a molecular weight of 454.58 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[8-(4-methylpyridine-3-carbonyl)-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2,8-diazaspiro[4.5]decan-2-yl]acetamide is sourced from PubChem (CID 146067271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).