1-(cyclopropylmethyl)-4-[(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]pyridin-2-one

C20H22N2O — CID 58554517

IUPAC1-(cyclopropylmethyl)-4-[(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]pyridin-2-one
SMILESO=c1cc(N2C[C@@H]3C(c4ccccc4)[C@@H]3C2)ccn1CC1CC1
InChIInChI=1S/C20H22N2O/c23-19-10-16(8-9-21(19)11-14-6-7-14)22-12-17-18(13-22)20(17)15-4-2-1-3-5-15/h1-5,8-10,14,17-18,20H,6-7,11-13H2/t17-,18+,20?
InChIKeyDGEQFNRPXWTHOH-UFRUDQCGSA-N
MW306.41 g/mol
LogP3.11
Rot. Bonds4

About 1-(cyclopropylmethyl)-4-[(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]pyridin-2-one

1-(cyclopropylmethyl)-4-[(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]pyridin-2-one (PubChem CID 58554517) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]pyridin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]pyridin-2-one
PubChem CID58554517
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name1-(cyclopropylmethyl)-4-[(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]pyridin-2-one
SMILESO=c1cc(N2C[C@@H]3C(c4ccccc4)[C@@H]3C2)ccn1CC1CC1
InChIInChI=1S/C20H22N2O/c23-19-10-16(8-9-21(19)11-14-6-7-14)22-12-17-18(13-22)20(17)15-4-2-1-3-5-15/h1-5,8-10,14,17-18,20H,6-7,11-13H2/t17-,18+,20?
InChIKeyDGEQFNRPXWTHOH-UFRUDQCGSA-N
XLogP3.11
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopropylmethyl)-4-[(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]pyridin-2-one with MolForge

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Related Compounds

Jnj-40411813
CID 25195461
(3H)Jnj-40068782
CID 59234231
1-(3-Methylbutyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
CID 59234239
1-(Cyclopropylmethyl)-4-(4-phenylpiperidin-1-yl)-3-(trifluoromethyl)pyridin-2-one
CID 59497075
3-Chloro-1-(cyclopropylmethyl)-4-(4-phenyl-1-piperidinyl)-2(1H)-pyridinone
CID 59497100
3-Chloro-1-(2-methylpropyl)-4-(4-phenyl-1-piperidinyl)-2(1H)-pyridinone
CID 118263352
1-(Cyclopropylmethyl)-4-[4-(4-fluorophenyl)piperidin-1-yl]-2-oxopyridine-3-carbonitrile
CID 118714749
1-Butyl-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
CID 118714742
1-(2-Methylpropyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
CID 118714743
1-(Cyclobutylmethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
CID 118714744
1-(2-Cyclopropylethyl)-2-oxo-4-(4-phenylpiperidin-1-yl)pyridine-3-carbonitrile
CID 118714745
2-Oxo-4-(4-phenylpiperidin-1-yl)-1-(4,4,4-trifluorobutyl)pyridine-3-carbonitrile
CID 118714746

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]pyridin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-4-[(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]pyridin-2-one (CID 58554517) is 1-(cyclopropylmethyl)-4-[(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]pyridin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]pyridin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]pyridin-2-one is O=c1cc(N2C[C@@H]3C(c4ccccc4)[C@@H]3C2)ccn1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]pyridin-2-one?
The InChIKey is DGEQFNRPXWTHOH-UFRUDQCGSA-N. The full InChI is InChI=1S/C20H22N2O/c23-19-10-16(8-9-21(19)11-14-6-7-14)22-12-17-18(13-22)20(17)15-4-2-1-3-5-15/h1-5,8-10,14,17-18,20H,6-7,11-13H2/t17-,18+,20?.
What are the key properties of 1-(cyclopropylmethyl)-4-[(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]pyridin-2-one?
1-(cyclopropylmethyl)-4-[(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]pyridin-2-one has a molecular weight of 306.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[(1S,5R)-6-phenyl-3-azabicyclo[3.1.0]hexan-3-yl]pyridin-2-one is sourced from PubChem (CID 58554517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).