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

C14H19N5O — CID 67277763

IUPAC4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCN1CCC(Nc2c(C(N)=O)cnc3[nH]ccc23)CC1
InChIInChI=1S/C14H19N5O/c1-19-6-3-9(4-7-19)18-12-10-2-5-16-14(10)17-8-11(12)13(15)20/h2,5,8-9H,3-4,6-7H2,1H3,(H2,15,20)(H2,16,17,18)
InChIKeySFAUUEIFBNIFTM-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.17
Rot. Bonds3

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

4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 67277763) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID67277763
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCN1CCC(Nc2c(C(N)=O)cnc3[nH]ccc23)CC1
InChIInChI=1S/C14H19N5O/c1-19-6-3-9(4-7-19)18-12-10-2-5-16-14(10)17-8-11(12)13(15)20/h2,5,8-9H,3-4,6-7H2,1H3,(H2,15,20)(H2,16,17,18)
InChIKeySFAUUEIFBNIFTM-UHFFFAOYSA-N
XLogP1.17
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-(5-Fluoropentyl)-N-(1-methyl-1-phenylethyl)-1H-pyrrolo(2,3-b)pyridine-3-carboxamide
CID 129532613
Variolin B
CID 9817550
Y-39983
CID 11507964
Bay-707
CID 129012086
1H-Pyrrolo[2,3-b]pyridine-3-carbaldehyde
CID 5372812
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
(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-(2-aminopyrimidin-4-yl)-7-methyl-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11207259

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 67277763) is 4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CN1CCC(Nc2c(C(N)=O)cnc3[nH]ccc23)CC1.
What is the InChIKey of 4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is SFAUUEIFBNIFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-19-6-3-9(4-7-19)18-12-10-2-5-16-14(10)17-8-11(12)13(15)20/h2,5,8-9H,3-4,6-7H2,1H3,(H2,15,20)(H2,16,17,18).
What are the key properties of 4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 67277763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).