4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid

C19H23N3O3 — CID 122000992

IUPAC4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
SMILESCc1cccnc1CNC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C19H23N3O3/c1-14-6-5-11-20-17(14)13-21-19(25)22-16(9-10-18(23)24)12-15-7-3-2-4-8-15/h2-8,11,16H,9-10,12-13H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyNCRFYCCFOGAPCJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.67
Rot. Bonds8

About 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid

4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid (PubChem CID 122000992) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
PubChem CID122000992
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
SMILESCc1cccnc1CNC(=O)NC(CCC(=O)O)Cc1ccccc1
InChIInChI=1S/C19H23N3O3/c1-14-6-5-11-20-17(14)13-21-19(25)22-16(9-10-18(23)24)12-15-7-3-2-4-8-15/h2-8,11,16H,9-10,12-13H2,1H3,(H,23,24)(H2,21,22,25)
InChIKeyNCRFYCCFOGAPCJ-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

4-[(2-methyl-4-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122016072
4-[(4-chloro-1-methylpyrazol-3-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122016344
4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122000939
5-phenyl-4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethylcarbamoylamino)pentanoic acid
CID 122014529
5-phenyl-4-[[2-(trifluoromethyl)-4-pyridinyl]methylcarbamoylamino]pentanoic acid
CID 122016176
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-[(3-methyl-2-pyridinyl)methylcarbamoylamino]butanoic acid
CID 55205773
2-amino-N-[(3-methyl-2-pyridinyl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119869371
(2S)-5-amino-2-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 63309082
4-[(3-hydroxy-2,2,4-trimethylpentyl)carbamoylamino]-5-phenylpentanoic acid
CID 122028274

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid?
The IUPAC name of 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid (CID 122000992) is 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid is Cc1cccnc1CNC(=O)NC(CCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid?
The InChIKey is NCRFYCCFOGAPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-6-5-11-20-17(14)13-21-19(25)22-16(9-10-18(23)24)12-15-7-3-2-4-8-15/h2-8,11,16H,9-10,12-13H2,1H3,(H,23,24)(H2,21,22,25).
What are the key properties of 4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid?
4-[(3-methyl-2-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-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-phenylpentanoic acid is sourced from PubChem (CID 122000992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).