[2-[(2-amino-3-pyridinyl)amino]acetyl]-benzylcarbamic acid

C15H16N4O3 — CID 69052470

IUPAC[2-[(2-amino-3-pyridinyl)amino]acetyl]-benzylcarbamic acid
SMILESNc1ncccc1NCC(=O)N(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H16N4O3/c16-14-12(7-4-8-17-14)18-9-13(20)19(15(21)22)10-11-5-2-1-3-6-11/h1-8,18H,9-10H2,(H2,16,17)(H,21,22)
InChIKeyLTVYHNZMBGLCKJ-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.78
Rot. Bonds5

About [2-[(2-amino-3-pyridinyl)amino]acetyl]-benzylcarbamic acid

[2-[(2-amino-3-pyridinyl)amino]acetyl]-benzylcarbamic acid (PubChem CID 69052470) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is [2-[(2-amino-3-pyridinyl)amino]acetyl]-benzylcarbamic acid.

Molecular Properties

Compound Name[2-[(2-amino-3-pyridinyl)amino]acetyl]-benzylcarbamic acid
PubChem CID69052470
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name[2-[(2-amino-3-pyridinyl)amino]acetyl]-benzylcarbamic acid
SMILESNc1ncccc1NCC(=O)N(Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H16N4O3/c16-14-12(7-4-8-17-14)18-9-13(20)19(15(21)22)10-11-5-2-1-3-6-11/h1-8,18H,9-10H2,(H2,16,17)(H,21,22)
InChIKeyLTVYHNZMBGLCKJ-UHFFFAOYSA-N
XLogP1.78
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-amino-3-pyridinyl)amino]-N,N-dimethylpropanamide
CID 104540220
N-benzyl-N-methyl-2-(2-methylanilino)acetamide
CID 39367191
2-[(1-aminoisoquinolin-6-yl)amino]-N-benzyl-N-methylacetamide
CID 70317093
2-(2-aminoanilino)-N,N-dimethylacetamide
CID 43310935
N-(2-amino-3-pyridinyl)propanamide
CID 174521549
3-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
CID 91315804
N-benzyl-2-(2-chloroanilino)-N-phenylacetamide
CID 109008415
ethyl 2-[(2-amino-3-pyridinyl)amino]benzoate
CID 123452552
3-N-prop-2-enylpyridine-2,3-diamine
CID 104540292
2-[(2-amino-3-pyridinyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107845881
3-N-(2,2-difluoroethyl)pyridine-2,3-diamine
CID 104540629
3-N-(2-methylsulfonylethyl)pyridine-2,3-diamine
CID 104540004

Frequently Asked Questions

What is the IUPAC name of [2-[(2-amino-3-pyridinyl)amino]acetyl]-benzylcarbamic acid?
The IUPAC name of [2-[(2-amino-3-pyridinyl)amino]acetyl]-benzylcarbamic acid (CID 69052470) is [2-[(2-amino-3-pyridinyl)amino]acetyl]-benzylcarbamic acid.
What is the SMILES notation for [2-[(2-amino-3-pyridinyl)amino]acetyl]-benzylcarbamic acid?
The canonical SMILES for [2-[(2-amino-3-pyridinyl)amino]acetyl]-benzylcarbamic acid is Nc1ncccc1NCC(=O)N(Cc1ccccc1)C(=O)O.
What is the InChIKey of [2-[(2-amino-3-pyridinyl)amino]acetyl]-benzylcarbamic acid?
The InChIKey is LTVYHNZMBGLCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c16-14-12(7-4-8-17-14)18-9-13(20)19(15(21)22)10-11-5-2-1-3-6-11/h1-8,18H,9-10H2,(H2,16,17)(H,21,22).
What are the key properties of [2-[(2-amino-3-pyridinyl)amino]acetyl]-benzylcarbamic acid?
[2-[(2-amino-3-pyridinyl)amino]acetyl]-benzylcarbamic acid has a molecular weight of 300.32 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-amino-3-pyridinyl)amino]acetyl]-benzylcarbamic acid is sourced from PubChem (CID 69052470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).