N-ethyl-4-methyl-N-(9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-3-(pyridin-2-ylmethylamino)benzamide

C28H40N4O2 — CID 110151619

IUPACN-ethyl-4-methyl-N-(9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-3-(pyridin-2-ylmethylamino)benzamide
SMILESCCN(C(=O)c1ccc(C)c(NCc2ccccn2)c1)C1CCOC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/C28H40N4O2/c1-5-32(25-11-17-34-28(19-25)12-15-31(16-13-28)21(2)3)27(33)23-10-9-22(4)26(18-23)30-20-24-8-6-7-14-29-24/h6-10,14,18,21,25,30H,5,11-13,15-17,19-20H2,1-4H3
InChIKeyPWDKJWNZBSOECJ-UHFFFAOYSA-N
MW464.65 g/mol
LogP4.89
Rot. Bonds7

About N-ethyl-4-methyl-N-(9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-3-(pyridin-2-ylmethylamino)benzamide

N-ethyl-4-methyl-N-(9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-3-(pyridin-2-ylmethylamino)benzamide (PubChem CID 110151619) has the molecular formula C28H40N4O2 and a molecular weight of 464.65 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-(9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-3-(pyridin-2-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-(9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-3-(pyridin-2-ylmethylamino)benzamide
PubChem CID110151619
Molecular FormulaC28H40N4O2
Molecular Weight464.65 g/mol
Exact Mass464.32
IUPAC NameN-ethyl-4-methyl-N-(9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-3-(pyridin-2-ylmethylamino)benzamide
SMILESCCN(C(=O)c1ccc(C)c(NCc2ccccn2)c1)C1CCOC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/C28H40N4O2/c1-5-32(25-11-17-34-28(19-25)12-15-31(16-13-28)21(2)3)27(33)23-10-9-22(4)26(18-23)30-20-24-8-6-7-14-29-24/h6-10,14,18,21,25,30H,5,11-13,15-17,19-20H2,1-4H3
InChIKeyPWDKJWNZBSOECJ-UHFFFAOYSA-N
XLogP4.89
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.65
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[(4S)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(pyrimidin-2-ylamino)benzamide
CID 125022942
N-ethyl-N-[(4R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide
CID 125013716
N-ethyl-N-[(4R)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 124997333
N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-propylpyridine-4-carboxamide
CID 95128544
[4-methyl-3-(pyridin-2-ylmethylamino)phenyl]-[6-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 110151404
N-ethyl-N-[(4R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 125026764
1-[(2R)-2-(4-methoxyphenyl)-4-[4-methyl-3-(pyridin-2-ylmethylamino)benzoyl]piperazin-1-yl]ethanone
CID 129459608
3-methyl-4-(pyridin-2-ylmethylamino)benzoic acid
CID 6472477
4-methyl-2-[(2R)-1-[4-methyl-3-(pyridin-2-ylmethylamino)benzoyl]pyrrolidin-2-yl]pyrimidine-5-carboxamide
CID 92637122
3-benzamido-N-cyclopentyl-N-ethyl-4-methylbenzamide
CID 55632308
4-propan-2-yl-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113103329
[(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-methyl-3-(pyridin-2-ylmethylamino)phenyl]methanone
CID 129454120

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-(9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-3-(pyridin-2-ylmethylamino)benzamide?
The IUPAC name of N-ethyl-4-methyl-N-(9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-3-(pyridin-2-ylmethylamino)benzamide (CID 110151619) is N-ethyl-4-methyl-N-(9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-3-(pyridin-2-ylmethylamino)benzamide.
What is the SMILES notation for N-ethyl-4-methyl-N-(9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-3-(pyridin-2-ylmethylamino)benzamide?
The canonical SMILES for N-ethyl-4-methyl-N-(9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-3-(pyridin-2-ylmethylamino)benzamide is CCN(C(=O)c1ccc(C)c(NCc2ccccn2)c1)C1CCOC2(CCN(C(C)C)CC2)C1.
What is the InChIKey of N-ethyl-4-methyl-N-(9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-3-(pyridin-2-ylmethylamino)benzamide?
The InChIKey is PWDKJWNZBSOECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O2/c1-5-32(25-11-17-34-28(19-25)12-15-31(16-13-28)21(2)3)27(33)23-10-9-22(4)26(18-23)30-20-24-8-6-7-14-29-24/h6-10,14,18,21,25,30H,5,11-13,15-17,19-20H2,1-4H3.
What are the key properties of N-ethyl-4-methyl-N-(9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-3-(pyridin-2-ylmethylamino)benzamide?
N-ethyl-4-methyl-N-(9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-3-(pyridin-2-ylmethylamino)benzamide has a molecular weight of 464.65 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-(9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)-3-(pyridin-2-ylmethylamino)benzamide is sourced from PubChem (CID 110151619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).