5-[2-(4-methoxyphenyl)-1-methyl-6-oxo-5-(pyrrolidin-3-ylmethylamino)-3-pyridinyl]pyridine-2-carbonitrile

C24H25N5O2 — CID 129115525

IUPAC5-[2-(4-methoxyphenyl)-1-methyl-6-oxo-5-(pyrrolidin-3-ylmethylamino)-3-pyridinyl]pyridine-2-carbonitrile
SMILESCOc1ccc(-c2c(-c3ccc(C#N)nc3)cc(NCC3CCNC3)c(=O)n2C)cc1
InChIInChI=1S/C24H25N5O2/c1-29-23(17-4-7-20(31-2)8-5-17)21(18-3-6-19(12-25)27-15-18)11-22(24(29)30)28-14-16-9-10-26-13-16/h3-8,11,15-16,26,28H,9-10,13-14H2,1-2H3
InChIKeyIAYBLDIGPSRDPL-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.02
Rot. Bonds6

About 5-[2-(4-methoxyphenyl)-1-methyl-6-oxo-5-(pyrrolidin-3-ylmethylamino)-3-pyridinyl]pyridine-2-carbonitrile

5-[2-(4-methoxyphenyl)-1-methyl-6-oxo-5-(pyrrolidin-3-ylmethylamino)-3-pyridinyl]pyridine-2-carbonitrile (PubChem CID 129115525) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)-1-methyl-6-oxo-5-(pyrrolidin-3-ylmethylamino)-3-pyridinyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)-1-methyl-6-oxo-5-(pyrrolidin-3-ylmethylamino)-3-pyridinyl]pyridine-2-carbonitrile
PubChem CID129115525
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name5-[2-(4-methoxyphenyl)-1-methyl-6-oxo-5-(pyrrolidin-3-ylmethylamino)-3-pyridinyl]pyridine-2-carbonitrile
SMILESCOc1ccc(-c2c(-c3ccc(C#N)nc3)cc(NCC3CCNC3)c(=O)n2C)cc1
InChIInChI=1S/C24H25N5O2/c1-29-23(17-4-7-20(31-2)8-5-17)21(18-3-6-19(12-25)27-15-18)11-22(24(29)30)28-14-16-9-10-26-13-16/h3-8,11,15-16,26,28H,9-10,13-14H2,1-2H3
InChIKeyIAYBLDIGPSRDPL-UHFFFAOYSA-N
XLogP3.02
TPSA91.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[2-(4-methoxyphenyl)-1-methyl-6-oxo-5-(pyrrolidin-3-ylmethylamino)-3-pyridinyl]pyridine-2-carbonitrile with MolForge

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Related Compounds

N1-(2,4-Dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl)oxalamide
CID 11739408
Ro 24-0238
CID 6439060
N1-(2-Methoxy-4-methylbenzyl)-N2-(2-(pyridin-2-yl)ethyl)oxalamide
CID 11221120
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
6-{[4-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl}amino)cyclohexyl]oxy}pyridine-3-carbonitrile
CID 23646143
N-(4-methoxybenzyl)-N'-(pyridin-3-ylmethyl)ethanediamide
CID 3113974
N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2-pyrrolecarboxamide
CID 24820011
Pyridine-2-carboxylic acid [3-(4-isopropoxy-benzoylamino)-propyl]-amide
CID 2985370
N-{3-[(4-methoxybenzoyl)amino]propyl}-2-pyridinecarboxamide
CID 2988566
N-(4-methoxybenzyl)-N'-(pyridin-3-yl)butanediamide
CID 5237831
(E)-3-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)prop-2-enamide
CID 6215469
N-(4-methoxybenzyl)-3-phenyl-2-(1H-pyrrol-1-yl)propanamide
CID 16194135

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)-1-methyl-6-oxo-5-(pyrrolidin-3-ylmethylamino)-3-pyridinyl]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-(4-methoxyphenyl)-1-methyl-6-oxo-5-(pyrrolidin-3-ylmethylamino)-3-pyridinyl]pyridine-2-carbonitrile (CID 129115525) is 5-[2-(4-methoxyphenyl)-1-methyl-6-oxo-5-(pyrrolidin-3-ylmethylamino)-3-pyridinyl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)-1-methyl-6-oxo-5-(pyrrolidin-3-ylmethylamino)-3-pyridinyl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-(4-methoxyphenyl)-1-methyl-6-oxo-5-(pyrrolidin-3-ylmethylamino)-3-pyridinyl]pyridine-2-carbonitrile is COc1ccc(-c2c(-c3ccc(C#N)nc3)cc(NCC3CCNC3)c(=O)n2C)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)-1-methyl-6-oxo-5-(pyrrolidin-3-ylmethylamino)-3-pyridinyl]pyridine-2-carbonitrile?
The InChIKey is IAYBLDIGPSRDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-29-23(17-4-7-20(31-2)8-5-17)21(18-3-6-19(12-25)27-15-18)11-22(24(29)30)28-14-16-9-10-26-13-16/h3-8,11,15-16,26,28H,9-10,13-14H2,1-2H3.
What are the key properties of 5-[2-(4-methoxyphenyl)-1-methyl-6-oxo-5-(pyrrolidin-3-ylmethylamino)-3-pyridinyl]pyridine-2-carbonitrile?
5-[2-(4-methoxyphenyl)-1-methyl-6-oxo-5-(pyrrolidin-3-ylmethylamino)-3-pyridinyl]pyridine-2-carbonitrile has a molecular weight of 415.50 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)-1-methyl-6-oxo-5-(pyrrolidin-3-ylmethylamino)-3-pyridinyl]pyridine-2-carbonitrile is sourced from PubChem (CID 129115525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).