2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid

C15H15N3O3 — CID 81313236

IUPAC2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid
SMILESNC(=O)c1cccnc1NCc1ccccc1CC(=O)O
InChIInChI=1S/C15H15N3O3/c16-14(21)12-6-3-7-17-15(12)18-9-11-5-2-1-4-10(11)8-13(19)20/h1-7H,8-9H2,(H2,16,21)(H,17,18)(H,19,20)
InChIKeyJZDDQHSJOXVPIZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.42
Rot. Bonds6

About 2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid

2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid (PubChem CID 81313236) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid
PubChem CID81313236
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid
SMILESNC(=O)c1cccnc1NCc1ccccc1CC(=O)O
InChIInChI=1S/C15H15N3O3/c16-14(21)12-6-3-7-17-15(12)18-9-11-5-2-1-4-10(11)8-13(19)20/h1-7H,8-9H2,(H2,16,21)(H,17,18)(H,19,20)
InChIKeyJZDDQHSJOXVPIZ-UHFFFAOYSA-N
XLogP1.42
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-carbamoylanilino)methyl]phenyl]acetic acid
CID 81313237
2-[2-(aminomethyl)anilino]pyridine-3-carboxamide
CID 55241412
2-(2-phenoxyethylamino)pyridine-3-carboxamide
CID 34013927
2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide
CID 43311020
4-[(3-carbamoyl-2-pyridinyl)amino]-3-methylbutanoic acid
CID 81065361
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
2-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylamino]pyridine-3-carboxylic acid
CID 167970694
2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66379723
2-(4-aminobutylamino)pyridine-3-carboxamide
CID 54122437
2-(butylamino)pyridine-3-carboxamide
CID 29031037
2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 54934775

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid (CID 81313236) is 2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid is NC(=O)c1cccnc1NCc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid?
The InChIKey is JZDDQHSJOXVPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-14(21)12-6-3-7-17-15(12)18-9-11-5-2-1-4-10(11)8-13(19)20/h1-7H,8-9H2,(H2,16,21)(H,17,18)(H,19,20).
What are the key properties of 2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid?
2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid has a molecular weight of 285.30 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(3-carbamoyl-2-pyridinyl)amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 81313236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).