(2R)-N-(4-ethylphenyl)-3-(2-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide

C19H20N5O2- — CID 7289808

IUPAC(2R)-N-(4-ethylphenyl)-3-(2-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
SMILESCCc1ccc(NC(=O)[C@H](Cc2ccccc2OC)c2nnn[n-]2)cc1
InChIInChI=1S/C19H21N5O2/c1-3-13-8-10-15(11-9-13)20-19(25)16(18-21-23-24-22-18)12-14-6-4-5-7-17(14)26-2/h4-11,16H,3,12H2,1-2H3,(H2,20,21,22,23,24,25)/p-1/t16-/m1/s1
InChIKeyCADBPLVDZYDJEF-MRXNPFEDSA-M
MW350.40 g/mol
LogP2.36
Rot. Bonds7

About (2R)-N-(4-ethylphenyl)-3-(2-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide

(2R)-N-(4-ethylphenyl)-3-(2-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide (PubChem CID 7289808) has the molecular formula C19H20N5O2- and a molecular weight of 350.40 g/mol. Its IUPAC name is (2R)-N-(4-ethylphenyl)-3-(2-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(4-ethylphenyl)-3-(2-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
PubChem CID7289808
Molecular FormulaC19H20N5O2-
Molecular Weight350.40 g/mol
Exact Mass350.16
IUPAC Name(2R)-N-(4-ethylphenyl)-3-(2-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
SMILESCCc1ccc(NC(=O)[C@H](Cc2ccccc2OC)c2nnn[n-]2)cc1
InChIInChI=1S/C19H21N5O2/c1-3-13-8-10-15(11-9-13)20-19(25)16(18-21-23-24-22-18)12-14-6-4-5-7-17(14)26-2/h4-11,16H,3,12H2,1-2H3,(H2,20,21,22,23,24,25)/p-1/t16-/m1/s1
InChIKeyCADBPLVDZYDJEF-MRXNPFEDSA-M
XLogP2.36
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 6972561
(2R)-3-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 6972544
(2S)-N-(3,5-dimethylphenyl)-3-(2-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 7316093
(2R)-N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 6972484
(2R)-N-(4-ethoxyphenyl)-3-phenyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 7119896
(2S)-N-(4-fluorophenyl)-3-phenyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 7119893
(2S)-2-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-3-(2-methoxyphenyl)propanamide
CID 95182780
(2S)-3-(3-methylphenyl)-N-(4-methylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 7119927
(2R)-N-(2,3-dimethylphenyl)-3-(4-ethylphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 7119962
(2S)-3-(3-methylphenyl)-N-phenyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 7119925
3-(2,4-dimethoxyphenyl)-N-(4-ethylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3610657
3-(2-methoxyphenyl)-N-(4-propan-2-ylphenyl)-2-(2H-tetrazol-5-yl)propanamide
CID 3453758

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-ethylphenyl)-3-(2-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide?
The IUPAC name of (2R)-N-(4-ethylphenyl)-3-(2-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide (CID 7289808) is (2R)-N-(4-ethylphenyl)-3-(2-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide.
What is the SMILES notation for (2R)-N-(4-ethylphenyl)-3-(2-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide?
The canonical SMILES for (2R)-N-(4-ethylphenyl)-3-(2-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide is CCc1ccc(NC(=O)[C@H](Cc2ccccc2OC)c2nnn[n-]2)cc1.
What is the InChIKey of (2R)-N-(4-ethylphenyl)-3-(2-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide?
The InChIKey is CADBPLVDZYDJEF-MRXNPFEDSA-M. The full InChI is InChI=1S/C19H21N5O2/c1-3-13-8-10-15(11-9-13)20-19(25)16(18-21-23-24-22-18)12-14-6-4-5-7-17(14)26-2/h4-11,16H,3,12H2,1-2H3,(H2,20,21,22,23,24,25)/p-1/t16-/m1/s1.
What are the key properties of (2R)-N-(4-ethylphenyl)-3-(2-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide?
(2R)-N-(4-ethylphenyl)-3-(2-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide has a molecular weight of 350.40 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-ethylphenyl)-3-(2-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide is sourced from PubChem (CID 7289808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).