N-[(1S,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-pyridin-3-ylpropanamide

C21H24N2O — CID 126417107

IUPACN-[(1S,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)N[C@@H]1[C@@H]2CCC[C@@H]2[C@H]1c1ccccc1
InChIInChI=1S/C21H24N2O/c24-19(12-11-15-6-5-13-22-14-15)23-21-18-10-4-9-17(18)20(21)16-7-2-1-3-8-16/h1-3,5-8,13-14,17-18,20-21H,4,9-12H2,(H,23,24)/t17-,18+,20+,21+/m0/s1
InChIKeyAGOQOTOIUNIUBI-UYWIDEMCSA-N
MW320.44 g/mol
LogP3.71
Rot. Bonds5

About N-[(1S,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-pyridin-3-ylpropanamide

N-[(1S,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-pyridin-3-ylpropanamide (PubChem CID 126417107) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[(1S,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(1S,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-pyridin-3-ylpropanamide
PubChem CID126417107
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-[(1S,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)N[C@@H]1[C@@H]2CCC[C@@H]2[C@H]1c1ccccc1
InChIInChI=1S/C21H24N2O/c24-19(12-11-15-6-5-13-22-14-15)23-21-18-10-4-9-17(18)20(21)16-7-2-1-3-8-16/h1-3,5-8,13-14,17-18,20-21H,4,9-12H2,(H,23,24)/t17-,18+,20+,21+/m0/s1
InChIKeyAGOQOTOIUNIUBI-UYWIDEMCSA-N
XLogP3.71
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-pyridin-3-ylpropanamide with MolForge

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Related Compounds

N-[(1S,6R,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-pyridin-3-ylpropanamide
CID 92596571
N-[(1R,6S,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-pyridin-3-ylpropanamide
CID 92596568
(1R,5S,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine
CID 51590446
(1S,5R,6R,7S)-7-phenyl-N-(pyridin-3-ylmethyl)bicyclo[3.2.0]heptan-6-amine
CID 51590448
2-(3-pyridin-3-ylpropanoylamino)cyclopentane-1-carboxamide
CID 71989741
N-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide
CID 81483186
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyridin-3-ylpropanamide
CID 154822153
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-pyridin-3-ylpropanamide
CID 103816944
2-[(2-pyridin-3-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 64813919
N-(4-hydroxycyclohexyl)-4-pyridin-3-ylbutanamide
CID 115277500
(7S,8R)-8-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)bicyclo[4.2.0]octan-7-amine
CID 110216283
4-(3,5-dimethylpyrazol-1-yl)-N-[(6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]butanamide
CID 46956350

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[(1S,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-pyridin-3-ylpropanamide (CID 126417107) is N-[(1S,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[(1S,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[(1S,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)N[C@@H]1[C@@H]2CCC[C@@H]2[C@H]1c1ccccc1.
What is the InChIKey of N-[(1S,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-pyridin-3-ylpropanamide?
The InChIKey is AGOQOTOIUNIUBI-UYWIDEMCSA-N. The full InChI is InChI=1S/C21H24N2O/c24-19(12-11-15-6-5-13-22-14-15)23-21-18-10-4-9-17(18)20(21)16-7-2-1-3-8-16/h1-3,5-8,13-14,17-18,20-21H,4,9-12H2,(H,23,24)/t17-,18+,20+,21+/m0/s1.
What are the key properties of N-[(1S,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-pyridin-3-ylpropanamide?
N-[(1S,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-pyridin-3-ylpropanamide has a molecular weight of 320.44 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 126417107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).