2-[methyl(pyridin-4-ylmethyl)amino]-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide

C22H25N5O — CID 131898446

IUPAC2-[methyl(pyridin-4-ylmethyl)amino]-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCCC2)c2ncccc12)Cc1ccncc1
InChIInChI=1S/C22H25N5O/c1-26(15-17-8-11-23-12-9-17)16-21(28)25-19-6-7-20(27-13-2-3-14-27)22-18(19)5-4-10-24-22/h4-12H,2-3,13-16H2,1H3,(H,25,28)
InChIKeyGPPVEYORQZOKBQ-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.30
Rot. Bonds6

About 2-[methyl(pyridin-4-ylmethyl)amino]-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide

2-[methyl(pyridin-4-ylmethyl)amino]-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide (PubChem CID 131898446) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-[methyl(pyridin-4-ylmethyl)amino]-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide.

Molecular Properties

Compound Name2-[methyl(pyridin-4-ylmethyl)amino]-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
PubChem CID131898446
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-[methyl(pyridin-4-ylmethyl)amino]-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
SMILESCN(CC(=O)Nc1ccc(N2CCCC2)c2ncccc12)Cc1ccncc1
InChIInChI=1S/C22H25N5O/c1-26(15-17-8-11-23-12-9-17)16-21(28)25-19-6-7-20(27-13-2-3-14-27)22-18(19)5-4-10-24-22/h4-12H,2-3,13-16H2,1H3,(H,25,28)
InChIKeyGPPVEYORQZOKBQ-UHFFFAOYSA-N
XLogP3.30
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
CID 168521739
(8-piperidin-1-ylquinolin-5-yl)urea
CID 167992902
2-(2-methylimidazol-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
CID 131896819
3-(2-oxopyrrolidin-1-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)propanamide
CID 131927592
2-methyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrazole-3-carboxamide
CID 131909202
(2S)-1-methylsulfonyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-2-carboxamide
CID 131914481
2-(4-oxothieno[3,2-d]pyrimidin-3-yl)-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
CID 131951504
N-(1,5-dimethylpyrazol-4-yl)-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 134702432
5-oxo-1-prop-2-enyl-N-(8-pyrrolidin-1-ylquinolin-5-yl)pyrrolidine-3-carboxamide
CID 131943338
1-[4-(3-fluoro-2-pyridinyl)-1,4-diazepan-1-yl]-2-[methyl(pyridin-4-ylmethyl)amino]ethanone
CID 138379799
2-[benzyl(methyl)amino]-N-naphthalen-1-ylacetamide
CID 8901088
2-[methyl(pyridin-4-ylmethyl)amino]-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]acetamide
CID 91839967

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(pyridin-4-ylmethyl)amino]-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide?
The IUPAC name of 2-[methyl(pyridin-4-ylmethyl)amino]-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide (CID 131898446) is 2-[methyl(pyridin-4-ylmethyl)amino]-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide.
What is the SMILES notation for 2-[methyl(pyridin-4-ylmethyl)amino]-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide?
The canonical SMILES for 2-[methyl(pyridin-4-ylmethyl)amino]-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide is CN(CC(=O)Nc1ccc(N2CCCC2)c2ncccc12)Cc1ccncc1.
What is the InChIKey of 2-[methyl(pyridin-4-ylmethyl)amino]-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide?
The InChIKey is GPPVEYORQZOKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-26(15-17-8-11-23-12-9-17)16-21(28)25-19-6-7-20(27-13-2-3-14-27)22-18(19)5-4-10-24-22/h4-12H,2-3,13-16H2,1H3,(H,25,28).
What are the key properties of 2-[methyl(pyridin-4-ylmethyl)amino]-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide?
2-[methyl(pyridin-4-ylmethyl)amino]-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide has a molecular weight of 375.48 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(pyridin-4-ylmethyl)amino]-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide is sourced from PubChem (CID 131898446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).