(3R)-3-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide

C21H20ClN3O — CID 25368116

IUPAC(3R)-3-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide
SMILESCc1cnc(CNC(=O)C[C@H](c2ccccc2)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H20ClN3O/c1-15-12-24-19(13-23-15)14-25-21(26)11-20(16-5-3-2-4-6-16)17-7-9-18(22)10-8-17/h2-10,12-13,20H,11,14H2,1H3,(H,25,26)/t20-/m1/s1
InChIKeyUIRVZAOBMHTURT-HXUWFJFHSA-N
MW365.86 g/mol
LogP4.28
Rot. Bonds6

About (3R)-3-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide

(3R)-3-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide (PubChem CID 25368116) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide
PubChem CID25368116
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name(3R)-3-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide
SMILESCc1cnc(CNC(=O)C[C@H](c2ccccc2)c2ccc(Cl)cc2)cn1
InChIInChI=1S/C21H20ClN3O/c1-15-12-24-19(13-23-15)14-25-21(26)11-20(16-5-3-2-4-6-16)17-7-9-18(22)10-8-17/h2-10,12-13,20H,11,14H2,1H3,(H,25,26)/t20-/m1/s1
InChIKeyUIRVZAOBMHTURT-HXUWFJFHSA-N
XLogP4.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(4-methoxyphenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide
CID 25375332
3-(4-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide
CID 45195362
(3S)-3-(3-chlorophenyl)-3-phenyl-N-(pyrimidin-4-ylmethyl)propanamide
CID 25301507
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3-diphenylpropanamide
CID 110717408
3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide
CID 81080396
(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 26404777
5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62847042
N-[(5-methylpyrazin-2-yl)methyl]-2-naphthalen-2-ylacetamide
CID 171090606
5-chloro-2-hydroxy-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62848141
4-(4-chlorobenzoyl)-N-[(5-methylpyrazin-2-yl)methyl]piperazine-1-carboxamide
CID 166279953
2-methoxy-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 64590585
2-amino-2-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]acetamide
CID 106312354

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide?
The IUPAC name of (3R)-3-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide (CID 25368116) is (3R)-3-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide?
The canonical SMILES for (3R)-3-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide is Cc1cnc(CNC(=O)C[C@H](c2ccccc2)c2ccc(Cl)cc2)cn1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide?
The InChIKey is UIRVZAOBMHTURT-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H20ClN3O/c1-15-12-24-19(13-23-15)14-25-21(26)11-20(16-5-3-2-4-6-16)17-7-9-18(22)10-8-17/h2-10,12-13,20H,11,14H2,1H3,(H,25,26)/t20-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide?
(3R)-3-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide has a molecular weight of 365.86 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 25368116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).