6-[(4-cyanophenyl)methylamino]pyridine-2-carboxylic acid

C14H11N3O2 — CID 62268952

IUPAC6-[(4-cyanophenyl)methylamino]pyridine-2-carboxylic acid
SMILESN#Cc1ccc(CNc2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C14H11N3O2/c15-8-10-4-6-11(7-5-10)9-16-13-3-1-2-12(17-13)14(18)19/h1-7H,9H2,(H,16,17)(H,18,19)
InChIKeyRVVBXDOQOIHWAW-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.26
Rot. Bonds4

About 6-[(4-cyanophenyl)methylamino]pyridine-2-carboxylic acid

6-[(4-cyanophenyl)methylamino]pyridine-2-carboxylic acid (PubChem CID 62268952) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 6-[(4-cyanophenyl)methylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(4-cyanophenyl)methylamino]pyridine-2-carboxylic acid
PubChem CID62268952
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name6-[(4-cyanophenyl)methylamino]pyridine-2-carboxylic acid
SMILESN#Cc1ccc(CNc2cccc(C(=O)O)n2)cc1
InChIInChI=1S/C14H11N3O2/c15-8-10-4-6-11(7-5-10)9-16-13-3-1-2-12(17-13)14(18)19/h1-7H,9H2,(H,16,17)(H,18,19)
InChIKeyRVVBXDOQOIHWAW-UHFFFAOYSA-N
XLogP2.26
TPSA86.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(6-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 64588346
5-[[(6-cyano-2-pyridinyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099512
4-[[[6-(propylamino)-2-pyridinyl]amino]methyl]benzonitrile
CID 80821765
2-chloro-6-[(4-cyanophenyl)methylamino]pyridine-4-carboxylic acid
CID 62268789
6-[[4-(diethylsulfamoyl)phenyl]methylamino]pyridine-2-carboxylic acid
CID 122052746
6-(3-cyanopropylamino)pyridine-2-carboxylic acid
CID 122050966
6-(naphthalen-1-ylmethylamino)pyridine-2-carboxylic acid
CID 62369628
4-[[(5-cyano-2-pyridinyl)amino]methyl]benzoic acid
CID 24705789
6-(2-chloro-4-cyanoanilino)pyridine-2-carboxylic acid
CID 107808831
6-(cyclohexen-1-ylmethylamino)pyridine-2-carboxylic acid
CID 122057801
6-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]pyridine-2-carboxylic acid
CID 122053203
6-[[1-(cyanomethyl)cyclopropyl]methylamino]pyridine-2-carboxylic acid
CID 122057114

Frequently Asked Questions

What is the IUPAC name of 6-[(4-cyanophenyl)methylamino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(4-cyanophenyl)methylamino]pyridine-2-carboxylic acid (CID 62268952) is 6-[(4-cyanophenyl)methylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(4-cyanophenyl)methylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(4-cyanophenyl)methylamino]pyridine-2-carboxylic acid is N#Cc1ccc(CNc2cccc(C(=O)O)n2)cc1.
What is the InChIKey of 6-[(4-cyanophenyl)methylamino]pyridine-2-carboxylic acid?
The InChIKey is RVVBXDOQOIHWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c15-8-10-4-6-11(7-5-10)9-16-13-3-1-2-12(17-13)14(18)19/h1-7H,9H2,(H,16,17)(H,18,19).
What are the key properties of 6-[(4-cyanophenyl)methylamino]pyridine-2-carboxylic acid?
6-[(4-cyanophenyl)methylamino]pyridine-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-cyanophenyl)methylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 62268952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).