(2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide

C21H21N3O — CID 8513088

IUPAC(2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccccc1C#N)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H21N3O/c1-16(21(25)23-20-10-6-5-9-19(20)15-22)24-13-11-18(12-14-24)17-7-3-2-4-8-17/h2-11,16H,12-14H2,1H3,(H,23,25)/t16-/m1/s1
InChIKeyFBROXIKNQDEZRS-MRXNPFEDSA-N
MW331.42 g/mol
LogP3.67
Rot. Bonds4

About (2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide

(2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide (PubChem CID 8513088) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is (2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
PubChem CID8513088
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name(2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
SMILESC[C@H](C(=O)Nc1ccccc1C#N)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C21H21N3O/c1-16(21(25)23-20-10-6-5-9-19(20)15-22)24-13-11-18(12-14-24)17-7-3-2-4-8-17/h2-11,16H,12-14H2,1H3,(H,23,25)/t16-/m1/s1
InChIKeyFBROXIKNQDEZRS-MRXNPFEDSA-N
XLogP3.67
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2,4-difluorophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 9495119
N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 46800715
2-(4-benzoylpiperazin-1-yl)-N-(2-cyanophenyl)propanamide
CID 46801865
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 9495104
N-(2-cyanophenyl)-2-(4-methyl-1,4-diazepan-1-yl)propanamide
CID 42912101
1-[1-(2-cyanoanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 17487362
(2R)-N-(2-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 8516450
N-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 51167878
(2S)-N-(4-ethoxyphenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
CID 9495057
(2R)-N-(2-cyanophenyl)-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]propanamide
CID 8853108
N-(2,4-dimethylphenyl)-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]propanamide
CID 51282418
N-(2-cyanophenyl)-2-pyrazol-1-ylpropanamide
CID 43187533

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
The IUPAC name of (2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide (CID 8513088) is (2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
The canonical SMILES for (2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide is C[C@H](C(=O)Nc1ccccc1C#N)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of (2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
The InChIKey is FBROXIKNQDEZRS-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H21N3O/c1-16(21(25)23-20-10-6-5-9-19(20)15-22)24-13-11-18(12-14-24)17-7-3-2-4-8-17/h2-11,16H,12-14H2,1H3,(H,23,25)/t16-/m1/s1.
What are the key properties of (2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
(2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide has a molecular weight of 331.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-cyanophenyl)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanamide is sourced from PubChem (CID 8513088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).