6-[[(1R,4S)-3-(6-methyl-3-phenylpyridine-2-carbonyl)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy]pyridine-3-carbonitrile

C26H24N4O2 — CID 163877793

IUPAC6-[[(1R,4S)-3-(6-methyl-3-phenylpyridine-2-carbonyl)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy]pyridine-3-carbonitrile
SMILESCc1ccc(-c2ccccc2)c(C(=O)N2C[C@@H]3CC3C[C@H]2COc2ccc(C#N)cn2)n1
InChIInChI=1S/C26H24N4O2/c1-17-7-9-23(19-5-3-2-4-6-19)25(29-17)26(31)30-15-21-11-20(21)12-22(30)16-32-24-10-8-18(13-27)14-28-24/h2-10,14,20-22H,11-12,15-16H2,1H3/t20?,21-,22-/m0/s1
InChIKeyPQLHUTGRDPYVLM-QIFDKBNDSA-N
MW424.50 g/mol
LogP4.25
Rot. Bonds5

About 6-[[(1R,4S)-3-(6-methyl-3-phenylpyridine-2-carbonyl)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy]pyridine-3-carbonitrile

6-[[(1R,4S)-3-(6-methyl-3-phenylpyridine-2-carbonyl)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy]pyridine-3-carbonitrile (PubChem CID 163877793) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 6-[[(1R,4S)-3-(6-methyl-3-phenylpyridine-2-carbonyl)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(1R,4S)-3-(6-methyl-3-phenylpyridine-2-carbonyl)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy]pyridine-3-carbonitrile
PubChem CID163877793
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name6-[[(1R,4S)-3-(6-methyl-3-phenylpyridine-2-carbonyl)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy]pyridine-3-carbonitrile
SMILESCc1ccc(-c2ccccc2)c(C(=O)N2C[C@@H]3CC3C[C@H]2COc2ccc(C#N)cn2)n1
InChIInChI=1S/C26H24N4O2/c1-17-7-9-23(19-5-3-2-4-6-19)25(29-17)26(31)30-15-21-11-20(21)12-22(30)16-32-24-10-8-18(13-27)14-28-24/h2-10,14,20-22H,11-12,15-16H2,1H3/t20?,21-,22-/m0/s1
InChIKeyPQLHUTGRDPYVLM-QIFDKBNDSA-N
XLogP4.25
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-chloro-6-methyl-2-pyridinyl)-[(4S,6R)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 70213191
[4-[(4,6-dichloro-2-pyridinyl)oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 75281751
[6-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(4S)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 162542859
[(2S,5S)-2-(hydroxymethyl)-5-methylpiperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 67956113
6-[[4,4-difluoro-1-(6-methyl-3-pyrimidin-2-ylpyridine-2-carbonyl)piperidin-2-yl]methylamino]pyridine-3-carbonitrile
CID 71730096
[(2S,5S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-methylpiperidin-1-yl]-(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)methanone
CID 67954960
(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(1R,4R,6R)-4-[2-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 57414484
[6-methyl-3-(5-methylpyrimidin-2-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 59363724
[5-(2-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]-[5-[(5-fluoro-2-pyridinyl)oxymethyl]-2-azabicyclo[2.2.2]octan-2-yl]methanone
CID 86305710
ethyl 2-[3-[(5-cyano-2-pyridinyl)oxy]azetidin-1-yl]-2-oxoacetate
CID 122248678
[6-methyl-3-(5-methyl-1,3-oxazol-2-yl)-2-pyridinyl]-[(1R,4S,6R)-4-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 46219305
N-benzyl-3-[(5-cyano-2-pyridinyl)oxy]azetidine-1-carboxamide
CID 122248897

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,4S)-3-(6-methyl-3-phenylpyridine-2-carbonyl)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(1R,4S)-3-(6-methyl-3-phenylpyridine-2-carbonyl)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy]pyridine-3-carbonitrile (CID 163877793) is 6-[[(1R,4S)-3-(6-methyl-3-phenylpyridine-2-carbonyl)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(1R,4S)-3-(6-methyl-3-phenylpyridine-2-carbonyl)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(1R,4S)-3-(6-methyl-3-phenylpyridine-2-carbonyl)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy]pyridine-3-carbonitrile is Cc1ccc(-c2ccccc2)c(C(=O)N2C[C@@H]3CC3C[C@H]2COc2ccc(C#N)cn2)n1.
What is the InChIKey of 6-[[(1R,4S)-3-(6-methyl-3-phenylpyridine-2-carbonyl)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy]pyridine-3-carbonitrile?
The InChIKey is PQLHUTGRDPYVLM-QIFDKBNDSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-17-7-9-23(19-5-3-2-4-6-19)25(29-17)26(31)30-15-21-11-20(21)12-22(30)16-32-24-10-8-18(13-27)14-28-24/h2-10,14,20-22H,11-12,15-16H2,1H3/t20?,21-,22-/m0/s1.
What are the key properties of 6-[[(1R,4S)-3-(6-methyl-3-phenylpyridine-2-carbonyl)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy]pyridine-3-carbonitrile?
6-[[(1R,4S)-3-(6-methyl-3-phenylpyridine-2-carbonyl)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy]pyridine-3-carbonitrile has a molecular weight of 424.50 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,4S)-3-(6-methyl-3-phenylpyridine-2-carbonyl)-3-azabicyclo[4.1.0]heptan-4-yl]methoxy]pyridine-3-carbonitrile is sourced from PubChem (CID 163877793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).