4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid

C19H23N3O3 — CID 122016072

IUPAC4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
SMILESCc1cc(CNC(=O)NC(CCC(=O)O)Cc2ccccc2)ccn1
InChIInChI=1S/C19H23N3O3/c1-14-11-16(9-10-20-14)13-21-19(25)22-17(7-8-18(23)24)12-15-5-3-2-4-6-15/h2-6,9-11,17H,7-8,12-13H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeySWRUIXRAXXQOQG-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.67
Rot. Bonds8

About 4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid

4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid (PubChem CID 122016072) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
PubChem CID122016072
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
SMILESCc1cc(CNC(=O)NC(CCC(=O)O)Cc2ccccc2)ccn1
InChIInChI=1S/C19H23N3O3/c1-14-11-16(9-10-20-14)13-21-19(25)22-17(7-8-18(23)24)12-15-5-3-2-4-6-15/h2-6,9-11,17H,7-8,12-13H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeySWRUIXRAXXQOQG-UHFFFAOYSA-N
XLogP2.67
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-4-[[2-(trifluoromethyl)-4-pyridinyl]methylcarbamoylamino]pentanoic acid
CID 122016176
4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000992
4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000939
4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122003736
4-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122008021
5-phenyl-4-(prop-2-ynylcarbamoylamino)pentanoic acid
CID 122027336
4-[(2-hydroxy-3-phenylpropyl)carbamoylamino]-5-phenylpentanoic acid
CID 122027128
4-[(2,5-difluorophenyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000989
(2-methyl-4-pyridinyl)methylcarbamic acid
CID 89157251
4-[(4-aminopyrimidin-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122028214
5-phenyl-4-[2-(1,3-thiazol-2-yl)propylcarbamoylamino]pentanoic acid
CID 122009852
4-(3-fluorobutylcarbamoylamino)-5-phenylpentanoic acid
CID 122015478

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid (CID 122016072) is 4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid is Cc1cc(CNC(=O)NC(CCC(=O)O)Cc2ccccc2)ccn1.
What is the InChIKey of 4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid?
The InChIKey is SWRUIXRAXXQOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-11-16(9-10-20-14)13-21-19(25)22-17(7-8-18(23)24)12-15-5-3-2-4-6-15/h2-6,9-11,17H,7-8,12-13H2,1H3,(H,23,24)(H2,21,22,25).
What are the key properties of 4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid?
4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid has a molecular weight of 341.41 g/mol, XLogP of 2.67, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122016072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).