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

C18H22N4O — CID 109205096

IUPAC(4-methylpiperidin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2cc(NCc3cccnc3)ccn2)CC1
InChIInChI=1S/C18H22N4O/c1-14-5-9-22(10-6-14)18(23)17-11-16(4-8-20-17)21-13-15-3-2-7-19-12-15/h2-4,7-8,11-12,14H,5-6,9-10,13H2,1H3,(H,20,21)
InChIKeyWGXZXCGMLSGBGI-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.96
Rot. Bonds4

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

(4-methylpiperidin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone (PubChem CID 109205096) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
PubChem CID109205096
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(4-methylpiperidin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2cc(NCc3cccnc3)ccn2)CC1
InChIInChI=1S/C18H22N4O/c1-14-5-9-22(10-6-14)18(23)17-11-16(4-8-20-17)21-13-15-3-2-7-19-12-15/h2-4,7-8,11-12,14H,5-6,9-10,13H2,1H3,(H,20,21)
InChIKeyWGXZXCGMLSGBGI-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)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109208075
(4-benzylpiperazin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109213109
[4-(furan-2-ylmethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205080
[4-(benzylamino)-2-pyridinyl]-(4-benzylpiperidin-1-yl)methanone
CID 109209814
[4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 62171607
methyl 4-(pyridin-3-ylmethylamino)pyridine-2-carboxylate
CID 66008856
(3-methylpiperidin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109191349
[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205101
(4-methylpiperidin-1-yl)-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109183266
[4-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205100
(4-methylpiperazin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109186273
azepan-1-yl-[4-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109213422

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone (CID 109205096) is (4-methylpiperidin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone is CC1CCN(C(=O)c2cc(NCc3cccnc3)ccn2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone?
The InChIKey is WGXZXCGMLSGBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-5-9-22(10-6-14)18(23)17-11-16(4-8-20-17)21-13-15-3-2-7-19-12-15/h2-4,7-8,11-12,14H,5-6,9-10,13H2,1H3,(H,20,21).
What are the key properties of (4-methylpiperidin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone?
(4-methylpiperidin-1-yl)-[4-(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 (4-methylpiperidin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109205096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).