[4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl] formate

C18H14N4O3 — CID 174791748

IUPAC[4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl] formate
SMILESNc1ncc(-c2ccc(OC=O)cc2)cc1C(=O)Nc1ccncc1
InChIInChI=1S/C18H14N4O3/c19-17-16(18(24)22-14-5-7-20-8-6-14)9-13(10-21-17)12-1-3-15(4-2-12)25-11-23/h1-11H,(H2,19,21)(H,20,22,24)
InChIKeyPBFNFLMCHNVHCY-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.51
Rot. Bonds5

About [4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl] formate

[4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl] formate (PubChem CID 174791748) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is [4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl] formate.

Molecular Properties

Compound Name[4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl] formate
PubChem CID174791748
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name[4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl] formate
SMILESNc1ncc(-c2ccc(OC=O)cc2)cc1C(=O)Nc1ccncc1
InChIInChI=1S/C18H14N4O3/c19-17-16(18(24)22-14-5-7-20-8-6-14)9-13(10-21-17)12-1-3-15(4-2-12)25-11-23/h1-11H,(H2,19,21)(H,20,22,24)
InChIKeyPBFNFLMCHNVHCY-UHFFFAOYSA-N
XLogP2.51
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoate
CID 71061208
methyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]-2-fluorobenzoate
CID 71060843
2-amino-5-[4-[bis(2-hydroxyethyl)carbamoyl]phenyl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 71061213
2-amino-N-pyridin-4-yl-5-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 71080374
2-amino-5-(1-carbamoyl-1-methylpyrazol-1-ium-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide
CID 123201906
N-(4-acetamidophenyl)-5-(4-acetylphenyl)-2-aminopyridine-3-carboxamide
CID 164524580
tert-butyl N-[4-[4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl]-4-oxobutyl]carbamate
CID 159902780
2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-3-yl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 71061217
2-amino-5-(1,5-dihydroimidazo[1,2-a]pyridin-2-yl)-N-pyridin-4-ylpyridine-3-carboxamide
CID 71062414
2-amino-5-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 71061133
N-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 10275331
2-phenylmethoxy-N,4-dipyridin-4-ylbenzamide
CID 135143390

Frequently Asked Questions

What is the IUPAC name of [4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl] formate?
The IUPAC name of [4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl] formate (CID 174791748) is [4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl] formate.
What is the SMILES notation for [4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl] formate?
The canonical SMILES for [4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl] formate is Nc1ncc(-c2ccc(OC=O)cc2)cc1C(=O)Nc1ccncc1.
What is the InChIKey of [4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl] formate?
The InChIKey is PBFNFLMCHNVHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c19-17-16(18(24)22-14-5-7-20-8-6-14)9-13(10-21-17)12-1-3-15(4-2-12)25-11-23/h1-11H,(H2,19,21)(H,20,22,24).
What are the key properties of [4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl] formate?
[4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl] formate has a molecular weight of 334.34 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl] formate is sourced from PubChem (CID 174791748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).