3-[[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]-4-methylbenzoic acid

C15H15N3O2 — CID 164531312

IUPAC3-[[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1N/C=C(\N)c1cccnc1
InChIInChI=1S/C15H15N3O2/c1-10-4-5-11(15(19)20)7-14(10)18-9-13(16)12-3-2-6-17-8-12/h2-9,18H,16H2,1H3,(H,19,20)/b13-9-
InChIKeyHILNWXLQPRAPOQ-LCYFTJDESA-N
MW269.30 g/mol
LogP2.46
Rot. Bonds4

About 3-[[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]-4-methylbenzoic acid

3-[[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]-4-methylbenzoic acid (PubChem CID 164531312) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-[[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]-4-methylbenzoic acid
PubChem CID164531312
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-[[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)cc1N/C=C(\N)c1cccnc1
InChIInChI=1S/C15H15N3O2/c1-10-4-5-11(15(19)20)7-14(10)18-9-13(16)12-3-2-6-17-8-12/h2-9,18H,16H2,1H3,(H,19,20)/b13-9-
InChIKeyHILNWXLQPRAPOQ-LCYFTJDESA-N
XLogP2.46
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-3-(pyridin-3-ylamino)benzoic acid
CID 82536002
4-methyl-3-(pyridin-3-ylsulfonylamino)benzoic acid
CID 24709903
4-carbamoylbenzoic acid;pyridine-3-carboxamide
CID 70159642
N-(3-benzamido-4-methylphenyl)pyridine-3-carboxamide
CID 6486649
3-[2-(5-carboxy-2-methylphenyl)hydrazinyl]-4-methylbenzoic acid
CID 134880122
nickel;pyridine-3-carboxylic acid
CID 174049937
CID 157283677
CID 157283677
4-[(5-carboxy-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271010
3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid
CID 55107885
benzene;pyridine-3-carboxamide
CID 66766032
calcium;hydride;pyridine-3-carboxylic acid
CID 173013176
4-aminobenzoic acid;pyridine-3-carboxamide
CID 23082444

Frequently Asked Questions

What is the IUPAC name of 3-[[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]-4-methylbenzoic acid?
The IUPAC name of 3-[[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]-4-methylbenzoic acid (CID 164531312) is 3-[[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]-4-methylbenzoic acid?
The canonical SMILES for 3-[[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]-4-methylbenzoic acid is Cc1ccc(C(=O)O)cc1N/C=C(\N)c1cccnc1.
What is the InChIKey of 3-[[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]-4-methylbenzoic acid?
The InChIKey is HILNWXLQPRAPOQ-LCYFTJDESA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-4-5-11(15(19)20)7-14(10)18-9-13(16)12-3-2-6-17-8-12/h2-9,18H,16H2,1H3,(H,19,20)/b13-9-.
What are the key properties of 3-[[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]-4-methylbenzoic acid?
3-[[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]-4-methylbenzoic acid has a molecular weight of 269.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-2-amino-2-pyridin-3-ylethenyl]amino]-4-methylbenzoic acid is sourced from PubChem (CID 164531312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).