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

C20H23N5O — CID 142753458

IUPACN-methyl-4-[(1-phenylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2[nH]ccc2c1NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H23N5O/c1-21-20(26)17-13-23-19-16(7-10-22-19)18(17)24-14-8-11-25(12-9-14)15-5-3-2-4-6-15/h2-7,10,13-14H,8-9,11-12H2,1H3,(H,21,26)(H2,22,23,24)
InChIKeyNWXDQCOEFOFQIY-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.00
Rot. Bonds4

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

N-methyl-4-[(1-phenylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 142753458) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-methyl-4-[(1-phenylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[(1-phenylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID142753458
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-methyl-4-[(1-phenylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCNC(=O)c1cnc2[nH]ccc2c1NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H23N5O/c1-21-20(26)17-13-23-19-16(7-10-22-19)18(17)24-14-8-11-25(12-9-14)15-5-3-2-4-6-15/h2-7,10,13-14H,8-9,11-12H2,1H3,(H,21,26)(H2,22,23,24)
InChIKeyNWXDQCOEFOFQIY-UHFFFAOYSA-N
XLogP3.00
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(1-phenylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-methyl-4-[(1-phenylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 142753458) is N-methyl-4-[(1-phenylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-methyl-4-[(1-phenylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-methyl-4-[(1-phenylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CNC(=O)c1cnc2[nH]ccc2c1NC1CCN(c2ccccc2)CC1.
What is the InChIKey of N-methyl-4-[(1-phenylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is NWXDQCOEFOFQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-21-20(26)17-13-23-19-16(7-10-22-19)18(17)24-14-8-11-25(12-9-14)15-5-3-2-4-6-15/h2-7,10,13-14H,8-9,11-12H2,1H3,(H,21,26)(H2,22,23,24).
What are the key properties of N-methyl-4-[(1-phenylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
N-methyl-4-[(1-phenylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(1-phenylpiperidin-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 142753458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).