3-[5-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]propanoic acid

C30H34N6O6 — CID 18404524

IUPAC3-[5-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]propanoic acid
SMILESCc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2ccc(C(CC(=O)O)NC(=O)CN3CCOCC3)nc2)cc1
InChIInChI=1S/C30H34N6O6/c1-20-4-2-3-5-24(20)35-30(41)33-22-8-6-21(7-9-22)16-27(37)32-23-10-11-25(31-18-23)26(17-29(39)40)34-28(38)19-36-12-14-42-15-13-36/h2-11,18,26H,12-17,19H2,1H3,(H,32,37)(H,34,38)(H,39,40)(H2,33,35,41)
InChIKeyRAZIIWGDTBPLEB-UHFFFAOYSA-N
MW574.64 g/mol
LogP3.18
Rot. Bonds11

About 3-[5-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]propanoic acid

3-[5-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]propanoic acid (PubChem CID 18404524) has the molecular formula C30H34N6O6 and a molecular weight of 574.64 g/mol. Its IUPAC name is 3-[5-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[5-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]propanoic acid
PubChem CID18404524
Molecular FormulaC30H34N6O6
Molecular Weight574.64 g/mol
Exact Mass574.25
IUPAC Name3-[5-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]propanoic acid
SMILESCc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2ccc(C(CC(=O)O)NC(=O)CN3CCOCC3)nc2)cc1
InChIInChI=1S/C30H34N6O6/c1-20-4-2-3-5-24(20)35-30(41)33-22-8-6-21(7-9-22)16-27(37)32-23-10-11-25(31-18-23)26(17-29(39)40)34-28(38)19-36-12-14-42-15-13-36/h2-11,18,26H,12-17,19H2,1H3,(H,32,37)(H,34,38)(H,39,40)(H2,33,35,41)
InChIKeyRAZIIWGDTBPLEB-UHFFFAOYSA-N
XLogP3.18
TPSA161.99 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.64
LogP ≤ 53.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 3-[5-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]propanoic acid with MolForge

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Related Compounds

3-[(2-aminoacetyl)amino]-3-[5-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-pyridinyl]propanoic acid
CID 18404514
3-acetamido-3-[5-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-pyridinyl]propanoic acid
CID 18404668
4-[[2-carboxy-1-[5-[[2-[3-methoxy-4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-pyridinyl]ethyl]carbamoyl]benzoic acid
CID 18404539
2-(2-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327232
(3R)-3-benzamido-3-[4-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]phenyl]propanoic acid
CID 54561249
N-(2-methylphenyl)-2-morpholin-4-ylacetamide
CID 744983
(3S)-3-[[4-[4-[(2-methylphenyl)carbamoylamino]anilino]-4-oxobutanoyl]amino]-4-morpholin-4-ylbutanoic acid;2,2,2-trifluoroacetic acid
CID 159966503
N-(2-methylphenyl)-2-morpholin-4-ylacetamide;oxalic acid
CID 175654128
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2-(phenylcarbamoylamino)propanamide
CID 55504284
3-[4-[3-methyl-1-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]butyl]imidazol-1-yl]propanoic acid
CID 18363396
1-(2-methylphenyl)-3-[4-[5-(morpholin-4-ylmethyl)-1,2-dihydrotriazol-3-yl]phenyl]urea
CID 130471114
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2,2-diphenylacetamide
CID 16612010

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]propanoic acid?
The IUPAC name of 3-[5-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]propanoic acid (CID 18404524) is 3-[5-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]propanoic acid.
What is the SMILES notation for 3-[5-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]propanoic acid?
The canonical SMILES for 3-[5-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]propanoic acid is Cc1ccccc1NC(=O)Nc1ccc(CC(=O)Nc2ccc(C(CC(=O)O)NC(=O)CN3CCOCC3)nc2)cc1.
What is the InChIKey of 3-[5-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]propanoic acid?
The InChIKey is RAZIIWGDTBPLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O6/c1-20-4-2-3-5-24(20)35-30(41)33-22-8-6-21(7-9-22)16-27(37)32-23-10-11-25(31-18-23)26(17-29(39)40)34-28(38)19-36-12-14-42-15-13-36/h2-11,18,26H,12-17,19H2,1H3,(H,32,37)(H,34,38)(H,39,40)(H2,33,35,41).
What are the key properties of 3-[5-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]propanoic acid?
3-[5-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]propanoic acid has a molecular weight of 574.64 g/mol, XLogP of 3.18, 11 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-2-pyridinyl]-3-[(2-morpholin-4-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 18404524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).