N-[[(1S,5S,6R,7R)-3-[4-(ethylamino)pyrimidin-2-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide

C20H25N5O3 — CID 155501699

IUPACN-[[(1S,5S,6R,7R)-3-[4-(ethylamino)pyrimidin-2-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide
SMILESCCNc1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4ccoc4)[C@H]4CC[C@]3(C2)O4)n1
InChIInChI=1S/C20H25N5O3/c1-2-21-17-4-7-22-19(24-17)25-10-15-14(16-3-6-20(15,12-25)28-16)9-23-18(26)13-5-8-27-11-13/h4-5,7-8,11,14-16H,2-3,6,9-10,12H2,1H3,(H,23,26)(H,21,22,24)/t14-,15+,16+,20+/m0/s1
InChIKeyANDLZMVLTLGAHN-QCBUCWTNSA-N
MW383.45 g/mol
LogP1.92
Rot. Bonds6

About N-[[(1S,5S,6R,7R)-3-[4-(ethylamino)pyrimidin-2-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide

N-[[(1S,5S,6R,7R)-3-[4-(ethylamino)pyrimidin-2-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide (PubChem CID 155501699) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-[4-(ethylamino)pyrimidin-2-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-[4-(ethylamino)pyrimidin-2-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide
PubChem CID155501699
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-[[(1S,5S,6R,7R)-3-[4-(ethylamino)pyrimidin-2-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide
SMILESCCNc1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4ccoc4)[C@H]4CC[C@]3(C2)O4)n1
InChIInChI=1S/C20H25N5O3/c1-2-21-17-4-7-22-19(24-17)25-10-15-14(16-3-6-20(15,12-25)28-16)9-23-18(26)13-5-8-27-11-13/h4-5,7-8,11,14-16H,2-3,6,9-10,12H2,1H3,(H,23,26)(H,21,22,24)/t14-,15+,16+,20+/m0/s1
InChIKeyANDLZMVLTLGAHN-QCBUCWTNSA-N
XLogP1.92
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[(1S,5S,6R,7R)-3-[4-(ethylamino)pyrimidin-2-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-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

N-[[(1S,5S,6R,7R)-3-(5,6-dimethylpyrimidin-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide
CID 155498118
N-[[(1S,5S,6R,7R)-3-(2-methylpyrimidin-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155509374
N-[[(1S,5S,6R,7R)-3-(4-methoxypyrimidin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyrazine-2-carboxamide
CID 155502448
N-[[(1S,5S,6R,7R)-3-(4-aminopyrimidin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 135092398
N-[[(1S,5S,6R,7R)-3-(2-propylsulfanylacetyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide
CID 155492887
N-[[(1S,5S,6R,7R)-3-(2-aminopyrimidin-4-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-4-methylbenzamide
CID 155507632
N-[[(1S,5S,6R,7R)-3-(3-methylfuran-2-carbonyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide
CID 155497148
4-methyl-N-[[(1S,5S,6R,7R)-3-pyrimidin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2,5-thiadiazole-3-carboxamide
CID 155491937
N-[[(1S,5S,6R,7R)-3-(3,6-dimethylpyrazin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155491463
N-[[(1S,5S,6R,7R)-3-(5-ethylpyrimidin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]pyridine-2-carboxamide
CID 155508406
4-fluoro-2-methyl-N-[[(1S,5S,6R,7R)-3-pyrimidin-2-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
CID 155500096
N-[[(1S,5S,6R,7R)-3-(4-aminopyrimidin-2-yl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;formic acid
CID 171713186

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-[4-(ethylamino)pyrimidin-2-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-[4-(ethylamino)pyrimidin-2-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide (CID 155501699) is N-[[(1S,5S,6R,7R)-3-[4-(ethylamino)pyrimidin-2-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-[4-(ethylamino)pyrimidin-2-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-[4-(ethylamino)pyrimidin-2-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide is CCNc1ccnc(N2C[C@@H]3[C@H](CNC(=O)c4ccoc4)[C@H]4CC[C@]3(C2)O4)n1.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-[4-(ethylamino)pyrimidin-2-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide?
The InChIKey is ANDLZMVLTLGAHN-QCBUCWTNSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-2-21-17-4-7-22-19(24-17)25-10-15-14(16-3-6-20(15,12-25)28-16)9-23-18(26)13-5-8-27-11-13/h4-5,7-8,11,14-16H,2-3,6,9-10,12H2,1H3,(H,23,26)(H,21,22,24)/t14-,15+,16+,20+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-[4-(ethylamino)pyrimidin-2-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide?
N-[[(1S,5S,6R,7R)-3-[4-(ethylamino)pyrimidin-2-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-[4-(ethylamino)pyrimidin-2-yl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 155501699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).