7-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide

C15H20N4O — CID 175929813

IUPAC7-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
SMILESCC1CCCN(Cc2cc(C(N)=O)nc3cc[nH]c23)C1
InChIInChI=1S/C15H20N4O/c1-10-3-2-6-19(8-10)9-11-7-13(15(16)20)18-12-4-5-17-14(11)12/h4-5,7,10,17H,2-3,6,8-9H2,1H3,(H2,16,20)
InChIKeyZXLLJMYBNINUOQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.89
Rot. Bonds3

About 7-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide

7-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide (PubChem CID 175929813) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 7-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name7-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
PubChem CID175929813
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name7-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
SMILESCC1CCCN(Cc2cc(C(N)=O)nc3cc[nH]c23)C1
InChIInChI=1S/C15H20N4O/c1-10-3-2-6-19(8-10)9-11-7-13(15(16)20)18-12-4-5-17-14(11)12/h4-5,7,10,17H,2-3,6,8-9H2,1H3,(H2,16,20)
InChIKeyZXLLJMYBNINUOQ-UHFFFAOYSA-N
XLogP1.89
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(2-methylpiperidin-1-yl)methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide
CID 175939650
[[3-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenyl]methylideneamino]urea
CID 168532134
3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 55146885
3-(4-aminobutyl)-4-[(3-methylpiperidin-1-yl)methyl]-1H-pyridin-2-one
CID 57032547
4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide
CID 60556119
6-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbohydrazide
CID 106909015
3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbothioamide
CID 62893261
[4-[(3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888835
5-[[(3R)-3-methylpiperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 51861568
3-bromo-4-[(3-methylpiperidin-1-yl)methyl]aniline
CID 60795850
5-[[(3S)-3-methylpiperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 51861570
(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine
CID 144850667

Frequently Asked Questions

What is the IUPAC name of 7-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The IUPAC name of 7-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide (CID 175929813) is 7-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide.
What is the SMILES notation for 7-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The canonical SMILES for 7-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide is CC1CCCN(Cc2cc(C(N)=O)nc3cc[nH]c23)C1.
What is the InChIKey of 7-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
The InChIKey is ZXLLJMYBNINUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-3-2-6-19(8-10)9-11-7-13(15(16)20)18-12-4-5-17-14(11)12/h4-5,7,10,17H,2-3,6,8-9H2,1H3,(H2,16,20).
What are the key properties of 7-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide?
7-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 175929813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).