5-[(4-ethylpiperazin-1-yl)methyl]-N-(quinolin-6-ylmethyl)pyridin-2-amine

C22H27N5 — CID 171675677

IUPAC5-[(4-ethylpiperazin-1-yl)methyl]-N-(quinolin-6-ylmethyl)pyridin-2-amine
SMILESCCN1CCN(Cc2ccc(NCc3ccc4ncccc4c3)nc2)CC1
InChIInChI=1S/C22H27N5/c1-2-26-10-12-27(13-11-26)17-19-6-8-22(25-16-19)24-15-18-5-7-21-20(14-18)4-3-9-23-21/h3-9,14,16H,2,10-13,15,17H2,1H3,(H,24,25)
InChIKeyCNWQXVPPGBXMPD-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.38
Rot. Bonds6

About 5-[(4-ethylpiperazin-1-yl)methyl]-N-(quinolin-6-ylmethyl)pyridin-2-amine

5-[(4-ethylpiperazin-1-yl)methyl]-N-(quinolin-6-ylmethyl)pyridin-2-amine (PubChem CID 171675677) has the molecular formula C22H27N5 and a molecular weight of 361.49 g/mol. Its IUPAC name is 5-[(4-ethylpiperazin-1-yl)methyl]-N-(quinolin-6-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[(4-ethylpiperazin-1-yl)methyl]-N-(quinolin-6-ylmethyl)pyridin-2-amine
PubChem CID171675677
Molecular FormulaC22H27N5
Molecular Weight361.49 g/mol
Exact Mass361.23
IUPAC Name5-[(4-ethylpiperazin-1-yl)methyl]-N-(quinolin-6-ylmethyl)pyridin-2-amine
SMILESCCN1CCN(Cc2ccc(NCc3ccc4ncccc4c3)nc2)CC1
InChIInChI=1S/C22H27N5/c1-2-26-10-12-27(13-11-26)17-19-6-8-22(25-16-19)24-15-18-5-7-21-20(14-18)4-3-9-23-21/h3-9,14,16H,2,10-13,15,17H2,1H3,(H,24,25)
InChIKeyCNWQXVPPGBXMPD-UHFFFAOYSA-N
XLogP3.38
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]pyridin-2-amine
CID 172866624
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-pyridin-2-ylpyrimidin-2-amine
CID 175929946
6-[[4-[(3-bromophenyl)methyl]piperazin-1-yl]methyl]quinoline
CID 171999212
6-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025620
1-(1-ethylpyrrolidin-2-yl)-N-(quinolin-6-ylmethyl)methanamine
CID 43183351
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356
1-methyl-N-(quinolin-6-ylmethyl)cyclopropan-1-amine
CID 115635138
2-ethyl-N-(quinolin-6-ylmethyl)aniline
CID 28521209
1-propyl-N-(quinolin-6-ylmethyl)piperidin-4-amine
CID 60664069
2-pyrazol-1-yl-N-(quinolin-6-ylmethyl)ethanamine
CID 61070929
(4-ethylpiperazin-1-yl)-[4-(quinolin-7-ylmethylamino)phenyl]methanone
CID 166360675
6-[(3,3-dimethylpiperazin-1-yl)methyl]quinoline
CID 64833438

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-N-(quinolin-6-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-[(4-ethylpiperazin-1-yl)methyl]-N-(quinolin-6-ylmethyl)pyridin-2-amine (CID 171675677) is 5-[(4-ethylpiperazin-1-yl)methyl]-N-(quinolin-6-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-[(4-ethylpiperazin-1-yl)methyl]-N-(quinolin-6-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-[(4-ethylpiperazin-1-yl)methyl]-N-(quinolin-6-ylmethyl)pyridin-2-amine is CCN1CCN(Cc2ccc(NCc3ccc4ncccc4c3)nc2)CC1.
What is the InChIKey of 5-[(4-ethylpiperazin-1-yl)methyl]-N-(quinolin-6-ylmethyl)pyridin-2-amine?
The InChIKey is CNWQXVPPGBXMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5/c1-2-26-10-12-27(13-11-26)17-19-6-8-22(25-16-19)24-15-18-5-7-21-20(14-18)4-3-9-23-21/h3-9,14,16H,2,10-13,15,17H2,1H3,(H,24,25).
What are the key properties of 5-[(4-ethylpiperazin-1-yl)methyl]-N-(quinolin-6-ylmethyl)pyridin-2-amine?
5-[(4-ethylpiperazin-1-yl)methyl]-N-(quinolin-6-ylmethyl)pyridin-2-amine has a molecular weight of 361.49 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylpiperazin-1-yl)methyl]-N-(quinolin-6-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 171675677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).