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

C18H22N4O — CID 109191349

IUPAC(3-methylpiperidin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
SMILESCC1CCCN(C(=O)c2ccc(NCc3cccnc3)cn2)C1
InChIInChI=1S/C18H22N4O/c1-14-4-3-9-22(13-14)18(23)17-7-6-16(12-21-17)20-11-15-5-2-8-19-10-15/h2,5-8,10,12,14,20H,3-4,9,11,13H2,1H3
InChIKeyZVRZBWGEYYTGLG-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.96
Rot. Bonds4

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

(3-methylpiperidin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone (PubChem CID 109191349) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
PubChem CID109191349
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(3-methylpiperidin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
SMILESCC1CCCN(C(=O)c2ccc(NCc3cccnc3)cn2)C1
InChIInChI=1S/C18H22N4O/c1-14-4-3-9-22(13-14)18(23)17-7-6-16(12-21-17)20-11-15-5-2-8-19-10-15/h2,5-8,10,12,14,20H,3-4,9,11,13H2,1H3
InChIKeyZVRZBWGEYYTGLG-UHFFFAOYSA-N
XLogP2.96
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109186273
(3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone
CID 109329891
[5-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109192409
(4-methylpiperidin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109205096
(4-methylpiperidin-1-yl)-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109183266
[5-[3-(dimethylamino)propylamino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109186144
[5-(4-fluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196342
[5-(2-ethylanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196331
[5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181808
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109191334
[5-(2,6-difluoroanilino)-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109196418
5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 109283250

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone (CID 109191349) is (3-methylpiperidin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone is CC1CCCN(C(=O)c2ccc(NCc3cccnc3)cn2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone?
The InChIKey is ZVRZBWGEYYTGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-4-3-9-22(13-14)18(23)17-7-6-16(12-21-17)20-11-15-5-2-8-19-10-15/h2,5-8,10,12,14,20H,3-4,9,11,13H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone?
(3-methylpiperidin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone has a molecular weight of 310.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109191349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).