(1R,6S,7S)-7-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-3-azabicyclo[4.1.0]heptane-3-carboxamide

C20H23N3O — CID 169175983

IUPAC(1R,6S,7S)-7-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-3-azabicyclo[4.1.0]heptane-3-carboxamide
SMILESCc1ccc(NC(=O)N2CC[C@H]3[C@H](C)[C@H]3C2)cc1-c1ccccn1
InChIInChI=1S/C20H23N3O/c1-13-6-7-15(11-17(13)19-5-3-4-9-21-19)22-20(24)23-10-8-16-14(2)18(16)12-23/h3-7,9,11,14,16,18H,8,10,12H2,1-2H3,(H,22,24)/t14-,16-,18+/m0/s1
InChIKeyKMHUQKWLLJGNSA-QILLFSRXSA-N
MW321.42 g/mol
LogP4.18
Rot. Bonds2

About (1R,6S,7S)-7-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-3-azabicyclo[4.1.0]heptane-3-carboxamide

(1R,6S,7S)-7-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-3-azabicyclo[4.1.0]heptane-3-carboxamide (PubChem CID 169175983) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is (1R,6S,7S)-7-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-3-azabicyclo[4.1.0]heptane-3-carboxamide.

Molecular Properties

Compound Name(1R,6S,7S)-7-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-3-azabicyclo[4.1.0]heptane-3-carboxamide
PubChem CID169175983
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name(1R,6S,7S)-7-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-3-azabicyclo[4.1.0]heptane-3-carboxamide
SMILESCc1ccc(NC(=O)N2CC[C@H]3[C@H](C)[C@H]3C2)cc1-c1ccccn1
InChIInChI=1S/C20H23N3O/c1-13-6-7-15(11-17(13)19-5-3-4-9-21-19)22-20(24)23-10-8-16-14(2)18(16)12-23/h3-7,9,11,14,16,18H,8,10,12H2,1-2H3,(H,22,24)/t14-,16-,18+/m0/s1
InChIKeyKMHUQKWLLJGNSA-QILLFSRXSA-N
XLogP4.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 169177069
(2R)-2-(1-methylpyrazol-4-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide
CID 169177060
2-cyclobutyl-N-(4-methyl-3-pyridin-2-ylphenyl)acetamide
CID 169175816
(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(4-methyl-3-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide
CID 169175961
N-(4-methyl-3-pyridin-2-ylphenyl)-3-(2,2,2-trifluoroethyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
CID 169177056
N-(4-methyl-3-pyridin-2-ylphenyl)spiro[2.3]hexane-5-carboxamide
CID 169176404
(1S)-N-(4-methyl-3-pyridin-2-ylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 176763932
N-(4-methyl-3-pyridin-2-ylphenyl)-9-azatricyclo[6.2.2.02,7]dodeca-2(7),5-diene-9-carboxamide;molecular hydrogen
CID 169176045
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-N-(4-methyl-3-pyridin-2-ylphenyl)-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 169176493
N-(4-methyl-3-pyridin-2-ylphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 169175846
2-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]pyridine-3-carboxamide
CID 170124545
N-(2,3-dipyridin-2-ylquinoxalin-6-yl)-3-phenylpyrrolidine-1-carboxamide
CID 5013877

Frequently Asked Questions

What is the IUPAC name of (1R,6S,7S)-7-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-3-azabicyclo[4.1.0]heptane-3-carboxamide?
The IUPAC name of (1R,6S,7S)-7-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-3-azabicyclo[4.1.0]heptane-3-carboxamide (CID 169175983) is (1R,6S,7S)-7-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-3-azabicyclo[4.1.0]heptane-3-carboxamide.
What is the SMILES notation for (1R,6S,7S)-7-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-3-azabicyclo[4.1.0]heptane-3-carboxamide?
The canonical SMILES for (1R,6S,7S)-7-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-3-azabicyclo[4.1.0]heptane-3-carboxamide is Cc1ccc(NC(=O)N2CC[C@H]3[C@H](C)[C@H]3C2)cc1-c1ccccn1.
What is the InChIKey of (1R,6S,7S)-7-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-3-azabicyclo[4.1.0]heptane-3-carboxamide?
The InChIKey is KMHUQKWLLJGNSA-QILLFSRXSA-N. The full InChI is InChI=1S/C20H23N3O/c1-13-6-7-15(11-17(13)19-5-3-4-9-21-19)22-20(24)23-10-8-16-14(2)18(16)12-23/h3-7,9,11,14,16,18H,8,10,12H2,1-2H3,(H,22,24)/t14-,16-,18+/m0/s1.
What are the key properties of (1R,6S,7S)-7-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-3-azabicyclo[4.1.0]heptane-3-carboxamide?
(1R,6S,7S)-7-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-3-azabicyclo[4.1.0]heptane-3-carboxamide has a molecular weight of 321.42 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S,7S)-7-methyl-N-(4-methyl-3-pyridin-2-ylphenyl)-3-azabicyclo[4.1.0]heptane-3-carboxamide is sourced from PubChem (CID 169175983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).