N-[[(1S,5S,6R,7R)-3-(1H-imidazol-5-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-pyridin-4-ylpropanamide

C21H27N5O2 — CID 169415958

IUPACN-[[(1S,5S,6R,7R)-3-(1H-imidazol-5-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-pyridin-4-ylpropanamide
SMILESO=C(CCc1ccncc1)NC[C@H]1[C@H]2CN(Cc3cnc[nH]3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C21H27N5O2/c27-20(2-1-15-4-7-22-8-5-15)24-10-17-18-12-26(11-16-9-23-14-25-16)13-21(18)6-3-19(17)28-21/h4-5,7-9,14,17-19H,1-3,6,10-13H2,(H,23,25)(H,24,27)/t17-,18+,19+,21+/m0/s1
InChIKeyVWCUVMPHEZFWBB-QEUVDIPISA-N
MW381.48 g/mol
LogP1.53
Rot. Bonds7

About N-[[(1S,5S,6R,7R)-3-(1H-imidazol-5-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-pyridin-4-ylpropanamide

N-[[(1S,5S,6R,7R)-3-(1H-imidazol-5-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-pyridin-4-ylpropanamide (PubChem CID 169415958) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-(1H-imidazol-5-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-(1H-imidazol-5-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-pyridin-4-ylpropanamide
PubChem CID169415958
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-[[(1S,5S,6R,7R)-3-(1H-imidazol-5-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-pyridin-4-ylpropanamide
SMILESO=C(CCc1ccncc1)NC[C@H]1[C@H]2CN(Cc3cnc[nH]3)C[C@]23CC[C@H]1O3
InChIInChI=1S/C21H27N5O2/c27-20(2-1-15-4-7-22-8-5-15)24-10-17-18-12-26(11-16-9-23-14-25-16)13-21(18)6-3-19(17)28-21/h4-5,7-9,14,17-19H,1-3,6,10-13H2,(H,23,25)(H,24,27)/t17-,18+,19+,21+/m0/s1
InChIKeyVWCUVMPHEZFWBB-QEUVDIPISA-N
XLogP1.53
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(1S,5S,6R,7R)-3-(1H-imidazol-5-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-pyridin-4-ylpropanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-(1H-imidazol-5-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-(1H-imidazol-5-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-pyridin-4-ylpropanamide (CID 169415958) is N-[[(1S,5S,6R,7R)-3-(1H-imidazol-5-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-(1H-imidazol-5-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-(1H-imidazol-5-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-pyridin-4-ylpropanamide is O=C(CCc1ccncc1)NC[C@H]1[C@H]2CN(Cc3cnc[nH]3)C[C@]23CC[C@H]1O3.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-(1H-imidazol-5-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-pyridin-4-ylpropanamide?
The InChIKey is VWCUVMPHEZFWBB-QEUVDIPISA-N. The full InChI is InChI=1S/C21H27N5O2/c27-20(2-1-15-4-7-22-8-5-15)24-10-17-18-12-26(11-16-9-23-14-25-16)13-21(18)6-3-19(17)28-21/h4-5,7-9,14,17-19H,1-3,6,10-13H2,(H,23,25)(H,24,27)/t17-,18+,19+,21+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-(1H-imidazol-5-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-pyridin-4-ylpropanamide?
N-[[(1S,5S,6R,7R)-3-(1H-imidazol-5-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-pyridin-4-ylpropanamide has a molecular weight of 381.48 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-(1H-imidazol-5-ylmethyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 169415958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).