N-ethyl-N-[(4S)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(pyrimidin-2-ylamino)benzamide

C25H35N5O2 — CID 125022942

IUPACN-ethyl-N-[(4S)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(pyrimidin-2-ylamino)benzamide
SMILESCCN(C(=O)c1cccc(Nc2ncccn2)c1)[C@H]1CCOC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/C25H35N5O2/c1-4-30(22-9-16-32-25(18-22)10-14-29(15-11-25)19(2)3)23(31)20-7-5-8-21(17-20)28-24-26-12-6-13-27-24/h5-8,12-13,17,19,22H,4,9-11,14-16,18H2,1-3H3,(H,26,27,28)/t22-/m0/s1
InChIKeyYUEFCJIFPRNNMI-QFIPXVFZSA-N
MW437.59 g/mol
LogP4.10
Rot. Bonds6

About N-ethyl-N-[(4S)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(pyrimidin-2-ylamino)benzamide

N-ethyl-N-[(4S)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(pyrimidin-2-ylamino)benzamide (PubChem CID 125022942) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is N-ethyl-N-[(4S)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(pyrimidin-2-ylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[(4S)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(pyrimidin-2-ylamino)benzamide
PubChem CID125022942
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC NameN-ethyl-N-[(4S)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(pyrimidin-2-ylamino)benzamide
SMILESCCN(C(=O)c1cccc(Nc2ncccn2)c1)[C@H]1CCOC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/C25H35N5O2/c1-4-30(22-9-16-32-25(18-22)10-14-29(15-11-25)19(2)3)23(31)20-7-5-8-21(17-20)28-24-26-12-6-13-27-24/h5-8,12-13,17,19,22H,4,9-11,14-16,18H2,1-3H3,(H,26,27,28)/t22-/m0/s1
InChIKeyYUEFCJIFPRNNMI-QFIPXVFZSA-N
XLogP4.10
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-ethyl-N-[(4S)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(pyrimidin-2-ylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N-[(4R)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]pyrazine-2-carboxamide
CID 125013716
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
2-anilino-N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethylpyrimidine-5-carboxamide
CID 97149283
1-[3-(pyrimidin-2-ylamino)phenyl]ethanone
CID 115028227
(3-phenoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)-[3-(pyrimidin-2-ylamino)phenyl]methanone
CID 110149617
(3-methylphenyl)-[(4R)-4-(4-propan-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462207
N-ethyl-N-[(4R)-9-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 125026764
N-[(4S)-2,2-dimethyloxan-4-yl]-N-ethyl-2-propylpyridine-4-carboxamide
CID 95128544
3-bromo-N-cyclopropyl-N-ethylbenzamide
CID 43243353
N-(2-morpholin-4-yl-2-phenylethyl)-3-(pyrimidin-2-ylamino)benzamide
CID 46578774
N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide
CID 110131080
4-[cyclopropyl(propan-2-ylcarbamoyl)amino]-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919901

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4S)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(pyrimidin-2-ylamino)benzamide?
The IUPAC name of N-ethyl-N-[(4S)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(pyrimidin-2-ylamino)benzamide (CID 125022942) is N-ethyl-N-[(4S)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(pyrimidin-2-ylamino)benzamide.
What is the SMILES notation for N-ethyl-N-[(4S)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(pyrimidin-2-ylamino)benzamide?
The canonical SMILES for N-ethyl-N-[(4S)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(pyrimidin-2-ylamino)benzamide is CCN(C(=O)c1cccc(Nc2ncccn2)c1)[C@H]1CCOC2(CCN(C(C)C)CC2)C1.
What is the InChIKey of N-ethyl-N-[(4S)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(pyrimidin-2-ylamino)benzamide?
The InChIKey is YUEFCJIFPRNNMI-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H35N5O2/c1-4-30(22-9-16-32-25(18-22)10-14-29(15-11-25)19(2)3)23(31)20-7-5-8-21(17-20)28-24-26-12-6-13-27-24/h5-8,12-13,17,19,22H,4,9-11,14-16,18H2,1-3H3,(H,26,27,28)/t22-/m0/s1.
What are the key properties of N-ethyl-N-[(4S)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(pyrimidin-2-ylamino)benzamide?
N-ethyl-N-[(4S)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(pyrimidin-2-ylamino)benzamide has a molecular weight of 437.59 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4S)-9-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-(pyrimidin-2-ylamino)benzamide is sourced from PubChem (CID 125022942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).