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N-methyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C20H24N6O — CID 142753460

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-methyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C20H24N6O/c1-21-20(27)17-12-24-19-16(4-9-23-19)18(17)25-15-5-10-26(11-6-15)13-14-2-7-22-8-3-14/h2-4,7-9,12,15H,5-6,10-11,13H2,1H3,(H,21,27)(H2,23,24,25)
InChIKeyGQZMWVOICAXTBD-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.39
Rot. Bonds5

About N-methyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-methyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 142753460) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-methyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID142753460
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-methyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccncc2)CC1
InChIInChI=1S/C20H24N6O/c1-21-20(27)17-12-24-19-16(4-9-23-19)18(17)25-15-5-10-26(11-6-15)13-14-2-7-22-8-3-14/h2-4,7-9,12,15H,5-6,10-11,13H2,1H3,(H,21,27)(H2,23,24,25)
InChIKeyGQZMWVOICAXTBD-UHFFFAOYSA-N
XLogP2.39
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-methyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 142753460) is N-methyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-methyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-methyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(Cc2ccncc2)CC1.
What is the InChIKey of N-methyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is GQZMWVOICAXTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-21-20(27)17-12-24-19-16(4-9-23-19)18(17)25-15-5-10-26(11-6-15)13-14-2-7-22-8-3-14/h2-4,7-9,12,15H,5-6,10-11,13H2,1H3,(H,21,27)(H2,23,24,25).
What are the key properties of N-methyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
N-methyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 142753460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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