N-(2-amino-5-pyridin-4-ylphenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide

C19H17N5O — CID 89183237

IUPACN-(2-amino-5-pyridin-4-ylphenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
SMILESNc1ccc(-c2ccncc2)cc1NC(=O)N1Cc2cccnc2C1
InChIInChI=1S/C19H17N5O/c20-16-4-3-14(13-5-8-21-9-6-13)10-17(16)23-19(25)24-11-15-2-1-7-22-18(15)12-24/h1-10H,11-12,20H2,(H,23,25)
InChIKeyHBVGDVAWXPRPMH-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.27
Rot. Bonds2

About N-(2-amino-5-pyridin-4-ylphenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide

N-(2-amino-5-pyridin-4-ylphenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide (PubChem CID 89183237) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(2-amino-5-pyridin-4-ylphenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-pyridin-4-ylphenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
PubChem CID89183237
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC NameN-(2-amino-5-pyridin-4-ylphenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
SMILESNc1ccc(-c2ccncc2)cc1NC(=O)N1Cc2cccnc2C1
InChIInChI=1S/C19H17N5O/c20-16-4-3-14(13-5-8-21-9-6-13)10-17(16)23-19(25)24-11-15-2-1-7-22-18(15)12-24/h1-10H,11-12,20H2,(H,23,25)
InChIKeyHBVGDVAWXPRPMH-UHFFFAOYSA-N
XLogP3.27
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-pyridin-4-ylphenyl)isoindole-2-carboxamide
CID 89158329
N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 135211632
N-(5-chloro-2-methoxyphenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 121191199
N-(2-amino-5-pyridin-4-ylphenyl)-3-fluorocyclobutane-1-carboxamide
CID 89158267
2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethanone
CID 162036810
N-(2-amino-5-thiophen-2-ylphenyl)-4-methylpiperazine-1-carboxamide
CID 71465922
N-(2-amino-5-pyridin-4-ylphenyl)-4-methylsulfanylbenzamide
CID 168913976
N-(2-amino-5-pyridin-4-ylphenyl)-2-piperazin-1-yl-1,3-thiazole-5-carboxamide
CID 134535398
N-[4-(4-methyl-6-oxo-1-propan-2-yl-4,5-dihydropyridazin-3-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 134516159
cyclopentyl(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121184511
(4-bromothiophen-2-yl)-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)methanone
CID 121191124
4-(5,7-dihydropyrrolo[3,4-b]pyridine-6-carbonyl)-1H-pyridin-2-one
CID 121184533

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-pyridin-4-ylphenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide?
The IUPAC name of N-(2-amino-5-pyridin-4-ylphenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide (CID 89183237) is N-(2-amino-5-pyridin-4-ylphenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(2-amino-5-pyridin-4-ylphenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-(2-amino-5-pyridin-4-ylphenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide is Nc1ccc(-c2ccncc2)cc1NC(=O)N1Cc2cccnc2C1.
What is the InChIKey of N-(2-amino-5-pyridin-4-ylphenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide?
The InChIKey is HBVGDVAWXPRPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c20-16-4-3-14(13-5-8-21-9-6-13)10-17(16)23-19(25)24-11-15-2-1-7-22-18(15)12-24/h1-10H,11-12,20H2,(H,23,25).
What are the key properties of N-(2-amino-5-pyridin-4-ylphenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide?
N-(2-amino-5-pyridin-4-ylphenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-pyridin-4-ylphenyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 89183237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).