(4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone

C17H21N5O — CID 109186273

IUPAC(4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
SMILESCN1CCN(C(=O)c2ccc(NCc3cccnc3)cn2)CC1
InChIInChI=1S/C17H21N5O/c1-21-7-9-22(10-8-21)17(23)16-5-4-15(13-20-16)19-12-14-3-2-6-18-11-14/h2-6,11,13,19H,7-10,12H2,1H3
InChIKeyDGVQIAWOROXJEU-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.48
Rot. Bonds4

About (4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone

(4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone (PubChem CID 109186273) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
PubChem CID109186273
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
SMILESCN1CCN(C(=O)c2ccc(NCc3cccnc3)cn2)CC1
InChIInChI=1S/C17H21N5O/c1-21-7-9-22(10-8-21)17(23)16-5-4-15(13-20-16)19-12-14-3-2-6-18-11-14/h2-6,11,13,19H,7-10,12H2,1H3
InChIKeyDGVQIAWOROXJEU-UHFFFAOYSA-N
XLogP1.48
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109208075
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109191334
(3-methylpiperidin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109191349
[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186259
[5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181808
[5-(benzylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109188000
(4-methylpiperidin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109205096
[5-(benzylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184568
(4-methylpiperidin-1-yl)-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109183266
4-[(4-methylpiperazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)aniline
CID 112721039
1-[4-[6-(pyridin-3-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346006
[5-[(4-methylphenyl)methylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109188753

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone (CID 109186273) is (4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone is CN1CCN(C(=O)c2ccc(NCc3cccnc3)cn2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone?
The InChIKey is DGVQIAWOROXJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-21-7-9-22(10-8-21)17(23)16-5-4-15(13-20-16)19-12-14-3-2-6-18-11-14/h2-6,11,13,19H,7-10,12H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone?
(4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone has a molecular weight of 311.39 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109186273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).