4-[(1-acetylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C15H19N5O2 — CID 67278030

IUPAC4-[(1-acetylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCC(=O)N1CCC(Nc2c(C(N)=O)cnc3[nH]ccc23)CC1
InChIInChI=1S/C15H19N5O2/c1-9(21)20-6-3-10(4-7-20)19-13-11-2-5-17-15(11)18-8-12(13)14(16)22/h2,5,8,10H,3-4,6-7H2,1H3,(H2,16,22)(H2,17,18,19)
InChIKeyOZUKOXXARSWVSM-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.08
Rot. Bonds3

About 4-[(1-acetylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-[(1-acetylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 67278030) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[(1-acetylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[(1-acetylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID67278030
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name4-[(1-acetylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCC(=O)N1CCC(Nc2c(C(N)=O)cnc3[nH]ccc23)CC1
InChIInChI=1S/C15H19N5O2/c1-9(21)20-6-3-10(4-7-20)19-13-11-2-5-17-15(11)18-8-12(13)14(16)22/h2,5,8,10H,3-4,6-7H2,1H3,(H2,16,22)(H2,17,18,19)
InChIKeyOZUKOXXARSWVSM-UHFFFAOYSA-N
XLogP1.08
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(1-acetylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide with MolForge

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Related Compounds

Variolin B
CID 9817550
Y-33075
CID 9810884
Y-39983
CID 11507964
Bay-707
CID 129012086
2-(2-aminopyrimidin-4-yl)-7-(propan-2-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11357740
2-((2-((2-Methyl-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)benzamide
CID 25218593
3-[[(cyanoamino)-[(2S)-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]methylidene]amino]-N-(2-hydroxyethyl)benzamide
CID 44543082
(7S)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
CID 16757525
(7R)-2-(2-aminopyrimidin-4-yl)-7-(2-fluoroethyl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190896
Lepzacitinib
CID 138624627
2-(pyrimidin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11149391
2-(9H-purin-6-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11185393

Frequently Asked Questions

What is the IUPAC name of 4-[(1-acetylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[(1-acetylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 67278030) is 4-[(1-acetylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[(1-acetylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[(1-acetylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CC(=O)N1CCC(Nc2c(C(N)=O)cnc3[nH]ccc23)CC1.
What is the InChIKey of 4-[(1-acetylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is OZUKOXXARSWVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-9(21)20-6-3-10(4-7-20)19-13-11-2-5-17-15(11)18-8-12(13)14(16)22/h2,5,8,10H,3-4,6-7H2,1H3,(H2,16,22)(H2,17,18,19).
What are the key properties of 4-[(1-acetylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[(1-acetylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-acetylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 67278030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).