2-ethyl-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrimidine-5-carboxamide

C18H20N4O2 — CID 118700342

IUPAC2-ethyl-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)Nc2ccc([C@H]3O[C@@H]4CN[C@H]3C4)cc2)cn1
InChIInChI=1S/C18H20N4O2/c1-2-16-20-8-12(9-21-16)18(23)22-13-5-3-11(4-6-13)17-15-7-14(24-17)10-19-15/h3-6,8-9,14-15,17,19H,2,7,10H2,1H3,(H,22,23)/t14-,15-,17+/m0/s1
InChIKeyHGCBXBOVTSVNQW-YQQAZPJKSA-N
MW324.38 g/mol
LogP2.09
Rot. Bonds4

About 2-ethyl-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrimidine-5-carboxamide

2-ethyl-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrimidine-5-carboxamide (PubChem CID 118700342) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-ethyl-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrimidine-5-carboxamide
PubChem CID118700342
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-ethyl-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrimidine-5-carboxamide
SMILESCCc1ncc(C(=O)Nc2ccc([C@H]3O[C@@H]4CN[C@H]3C4)cc2)cn1
InChIInChI=1S/C18H20N4O2/c1-2-16-20-8-12(9-21-16)18(23)22-13-5-3-11(4-6-13)17-15-7-14(24-17)10-19-15/h3-6,8-9,14-15,17,19H,2,7,10H2,1H3,(H,22,23)/t14-,15-,17+/m0/s1
InChIKeyHGCBXBOVTSVNQW-YQQAZPJKSA-N
XLogP2.09
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrimidine-5-carboxamide 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

6-methyl-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide
CID 145006148
4-(cyclopropylmethoxy)-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide
CID 118695720
6-ethoxy-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyridine-3-carboxamide;N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 162200597
4-chloro-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide;4-(cyclopropylmethoxy)-N-[4-[(1R,3S,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]benzamide
CID 158610430
2-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 158279010
N-[4-(2-oxa-5-azabicyclo[2.2.1]heptan-3-yl)phenyl]-6-(trifluoromethyl)pyridin-3-amine
CID 145007788
5-(2-fluoropropan-2-yl)-N-[4-[(1R,3S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrazin-2-amine
CID 145007787
6-chloro-N-[4-(6-methylmorpholin-2-yl)phenyl]pyridine-3-carboxamide
CID 76758483
2-ethyl-N-[4-(2-oxa-5-azabicyclo[2.2.2]octan-1-yl)phenyl]pyrimidine-5-carboxamide;N-[4-(2-oxa-5-azabicyclo[2.2.2]octan-1-yl)phenyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 118541756
ethyl (E)-3-amino-2-chloro-5-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]-4-oxopent-2-enimidate
CID 158108821
N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide
CID 67241110
N-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250918

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-ethyl-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrimidine-5-carboxamide (CID 118700342) is 2-ethyl-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrimidine-5-carboxamide is CCc1ncc(C(=O)Nc2ccc([C@H]3O[C@@H]4CN[C@H]3C4)cc2)cn1.
What is the InChIKey of 2-ethyl-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrimidine-5-carboxamide?
The InChIKey is HGCBXBOVTSVNQW-YQQAZPJKSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-16-20-8-12(9-21-16)18(23)22-13-5-3-11(4-6-13)17-15-7-14(24-17)10-19-15/h3-6,8-9,14-15,17,19H,2,7,10H2,1H3,(H,22,23)/t14-,15-,17+/m0/s1.
What are the key properties of 2-ethyl-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrimidine-5-carboxamide?
2-ethyl-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrimidine-5-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-[(1S,3R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-3-yl]phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 118700342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).