4-[2-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide

C21H24N4O — CID 59506892

IUPAC4-[2-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
SMILESCC1CCCN(Cc2[nH]c3ncccc3c2-c2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C21H24N4O/c1-14-4-3-11-25(12-14)13-18-19(17-5-2-10-23-21(17)24-18)15-6-8-16(9-7-15)20(22)26/h2,5-10,14H,3-4,11-13H2,1H3,(H2,22,26)(H,23,24)
InChIKeyZRYZKAQKVVKFDB-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.56
Rot. Bonds4

About 4-[2-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide

4-[2-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide (PubChem CID 59506892) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-[2-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name4-[2-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
PubChem CID59506892
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-[2-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
SMILESCC1CCCN(Cc2[nH]c3ncccc3c2-c2ccc(C(N)=O)cc2)C1
InChIInChI=1S/C21H24N4O/c1-14-4-3-11-25(12-14)13-18-19(17-5-2-10-23-21(17)24-18)15-6-8-16(9-7-15)20(22)26/h2,5-10,14H,3-4,11-13H2,1H3,(H2,22,26)(H,23,24)
InChIKeyZRYZKAQKVVKFDB-UHFFFAOYSA-N
XLogP3.56
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-[(2S)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridine
CID 51593062
3-[[(3S)-3-methylpiperidin-1-yl]methyl]-2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 95854321
4-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzene-1,4-dicarboxamide
CID 60556119
N-(4-carbamoylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]benzamide
CID 38105189
3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 55146885
methyl 2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 95146461
3-[(3-methylpiperidin-1-yl)methyl]pyridine-2-carbothioamide
CID 62893261
4-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-nitrobenzamide
CID 60504525
2-(3-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 108999232
3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide
CID 63568661
1-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]ethanone
CID 142372799
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?
The IUPAC name of 4-[2-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide (CID 59506892) is 4-[2-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide.
What is the SMILES notation for 4-[2-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?
The canonical SMILES for 4-[2-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide is CC1CCCN(Cc2[nH]c3ncccc3c2-c2ccc(C(N)=O)cc2)C1.
What is the InChIKey of 4-[2-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?
The InChIKey is ZRYZKAQKVVKFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-14-4-3-11-25(12-14)13-18-19(17-5-2-10-23-21(17)24-18)15-6-8-16(9-7-15)20(22)26/h2,5-10,14H,3-4,11-13H2,1H3,(H2,22,26)(H,23,24).
What are the key properties of 4-[2-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?
4-[2-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide has a molecular weight of 348.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-methylpiperidin-1-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide is sourced from PubChem (CID 59506892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).