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

C17H21N5O — CID 109208075

IUPAC(4-methylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
SMILESCN1CCN(C(=O)c2cc(NCc3cccnc3)ccn2)CC1
InChIInChI=1S/C17H21N5O/c1-21-7-9-22(10-8-21)17(23)16-11-15(4-6-19-16)20-13-14-3-2-5-18-12-14/h2-6,11-12H,7-10,13H2,1H3,(H,19,20)
InChIKeyZAFWFPZENZMASN-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.48
Rot. Bonds4

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

(4-methylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone (PubChem CID 109208075) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
PubChem CID109208075
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name(4-methylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
SMILESCN1CCN(C(=O)c2cc(NCc3cccnc3)ccn2)CC1
InChIInChI=1S/C17H21N5O/c1-21-7-9-22(10-8-21)17(23)16-11-15(4-6-19-16)20-13-14-3-2-5-18-12-14/h2-6,11-12H,7-10,13H2,1H3,(H,19,20)
InChIKeyZAFWFPZENZMASN-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-methylpiperidin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109205096
(4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109186273
(4-benzylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109213109
[4-[(3-methylphenyl)methylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208062
methyl 4-(pyridin-3-ylmethylamino)pyridine-2-carboxylate
CID 66008856
1-[4-[6-(pyridin-3-ylmethylamino)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109346006
(4-methylpiperazin-1-yl)-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202285
[4-(3-methylbutylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208113
azepan-1-yl-[4-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109213422
1-[4-[4-[(4-chlorophenyl)methylamino]pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109209018
N-phenyl-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213139
[4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
CID 109209814

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone (CID 109208075) is (4-methylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone is CN1CCN(C(=O)c2cc(NCc3cccnc3)ccn2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone?
The InChIKey is ZAFWFPZENZMASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-21-7-9-22(10-8-21)17(23)16-11-15(4-6-19-16)20-13-14-3-2-5-18-12-14/h2-6,11-12H,7-10,13H2,1H3,(H,19,20).
What are the key properties of (4-methylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone?
(4-methylpiperazin-1-yl)-[4-(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)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109208075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).