2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid

C28H26N4O4 — CID 57423616

IUPAC2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
SMILESCc1cccc(C)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N(CC(=O)O)Cc1ccccn1
InChIInChI=1S/C28H26N4O4/c1-18-8-7-9-19(2)26(18)31-28(36)30-24-15-21-11-4-3-10-20(21)14-23(24)27(35)32(17-25(33)34)16-22-12-5-6-13-29-22/h3-15H,16-17H2,1-2H3,(H,33,34)(H2,30,31,36)
InChIKeyNKBCAKMYLCHYCB-UHFFFAOYSA-N
MW482.54 g/mol
LogP5.22
Rot. Bonds7

About 2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid

2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid (PubChem CID 57423616) has the molecular formula C28H26N4O4 and a molecular weight of 482.54 g/mol. Its IUPAC name is 2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
PubChem CID57423616
Molecular FormulaC28H26N4O4
Molecular Weight482.54 g/mol
Exact Mass482.20
IUPAC Name2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
SMILESCc1cccc(C)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N(CC(=O)O)Cc1ccccn1
InChIInChI=1S/C28H26N4O4/c1-18-8-7-9-19(2)26(18)31-28(36)30-24-15-21-11-4-3-10-20(21)14-23(24)27(35)32(17-25(33)34)16-22-12-5-6-13-29-22/h3-15H,16-17H2,1-2H3,(H,33,34)(H2,30,31,36)
InChIKeyNKBCAKMYLCHYCB-UHFFFAOYSA-N
XLogP5.22
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.54
LogP ≤ 55.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]-3-methylbutanoic acid
CID 57423597
N-ethyl-2-iodo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 103741244
2-[(2-chloro-4-methyl-1,3-thiazole-5-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid
CID 68715608
2-[cyclohexyl-[3-[(2,6-diethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]acetic acid
CID 69434457
2-[2,2-dimethylpropanoyl(pyridin-2-ylmethyl)amino]acetic acid
CID 20627822
2-[[2-(3-acetyloxyphenyl)-4-methyl-1,3-oxazole-5-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 24805060
(2S)-2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]-3-hydroxybutanoic acid
CID 69349545
2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 44570996
2-[(5-methyl-2-phenyltriazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid
CID 24805230
2-[[2-(4-bromophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 24802747
1-(2-chloro-6-methylphenyl)-3-(pyridin-2-ylmethyl)urea
CID 134086734
3-[(2-methylpropan-2-yl)oxy]-2-[methyl-[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]propanoic acid
CID 69348439

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid (CID 57423616) is 2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid is Cc1cccc(C)c1NC(=O)Nc1cc2ccccc2cc1C(=O)N(CC(=O)O)Cc1ccccn1.
What is the InChIKey of 2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid?
The InChIKey is NKBCAKMYLCHYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O4/c1-18-8-7-9-19(2)26(18)31-28(36)30-24-15-21-11-4-3-10-20(21)14-23(24)27(35)32(17-25(33)34)16-22-12-5-6-13-29-22/h3-15H,16-17H2,1-2H3,(H,33,34)(H2,30,31,36).
What are the key properties of 2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid?
2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid has a molecular weight of 482.54 g/mol, XLogP of 5.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2,6-dimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 57423616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).