N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide

C14H12N4O — CID 158101881

IUPACN-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc3c(c2)C=NC3)ccn1
InChIInChI=1S/C14H12N4O/c1-9(19)18-14-5-10(2-3-16-14)11-4-12-6-15-8-13(12)17-7-11/h2-7H,8H2,1H3,(H,16,18,19)
InChIKeyUQXJDNXXBFWSLX-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.03
Rot. Bonds2

About N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide

N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide (PubChem CID 158101881) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide
PubChem CID158101881
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc3c(c2)C=NC3)ccn1
InChIInChI=1S/C14H12N4O/c1-9(19)18-14-5-10(2-3-16-14)11-4-12-6-15-8-13(12)17-7-11/h2-7H,8H2,1H3,(H,16,18,19)
InChIKeyUQXJDNXXBFWSLX-UHFFFAOYSA-N
XLogP2.03
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(6-amino-5-methylsulfanyl-3-pyridinyl)-2-pyridinyl]acetamide
CID 144889170
N-[4-[5-[(C,N-dimethylcarbonimidoyl)amino]-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 144889453
N-[4-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118238365
[5-(2-acetamido-4-pyridinyl)-2-methyl-3-pyridinyl] N,N-dimethylsulfamate
CID 123249562
N-[4-[6-amino-5-(cyclopropylmethylamino)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118238035
N-[4-[6-amino-5-(1,2-thiazolidin-2-yl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 166785667
N-[4-[3-(dimethylamino)-1-methylpyrrolo[2,3-b]pyridin-5-yl]-2-pyridinyl]acetamide
CID 118249007
N-[4-[5-(azetidin-1-ylsulfonyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118293550
N-(4-pyridin-2-yl-2-pyridinyl)acetamide
CID 22601790
N-[4-[5-(1-adamantylsulfamoyl)-3-pyridinyl]-2-pyridinyl]acetamide
CID 118249294
N-[4-[1-(cyclopropylmethyl)pyrrolo[3,2-b]pyridin-6-yl]-2-pyridinyl]acetamide;ethane
CID 144889303
N-[4-[5-(1-bicyclo[2.1.0]pentanylsulfamoyl)-6-methyl-3-pyridinyl]-2-pyridinyl]acetamide
CID 123524378

Frequently Asked Questions

What is the IUPAC name of N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide (CID 158101881) is N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc3c(c2)C=NC3)ccn1.
What is the InChIKey of N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide?
The InChIKey is UQXJDNXXBFWSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9(19)18-14-5-10(2-3-16-14)11-4-12-6-15-8-13(12)17-7-11/h2-7H,8H2,1H3,(H,16,18,19).
What are the key properties of N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide?
N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide has a molecular weight of 252.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7H-pyrrolo[3,4-b]pyridin-3-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 158101881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).