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

C18H22N4O — CID 109183266

IUPAC(4-methylpiperidin-1-yl)-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2ccc(NCc3ccncc3)cn2)CC1
InChIInChI=1S/C18H22N4O/c1-14-6-10-22(11-7-14)18(23)17-3-2-16(13-21-17)20-12-15-4-8-19-9-5-15/h2-5,8-9,13-14,20H,6-7,10-12H2,1H3
InChIKeyAHGUSUFDGVLTCZ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.96
Rot. Bonds4

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

(4-methylpiperidin-1-yl)-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone (PubChem CID 109183266) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
PubChem CID109183266
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(4-methylpiperidin-1-yl)-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
SMILESCC1CCN(C(=O)c2ccc(NCc3ccncc3)cn2)CC1
InChIInChI=1S/C18H22N4O/c1-14-6-10-22(11-7-14)18(23)17-3-2-16(13-21-17)20-12-15-4-8-19-9-5-15/h2-5,8-9,13-14,20H,6-7,10-12H2,1H3
InChIKeyAHGUSUFDGVLTCZ-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

[5-(pyridin-4-ylmethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181808
[5-(2-methoxyethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183238
5-(pyridin-4-ylmethylamino)pyridine-2-carboxylic acid
CID 12640186
(3-methylpiperidin-1-yl)-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109191349
[4-(2-fluorophenyl)piperazin-1-yl]-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109191619
[5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 113436179
(4-methylpiperidin-1-yl)-[5-[methyl(2-pyridin-4-ylethyl)amino]-2-pyridinyl]methanone
CID 109183274
(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
[5-(2-ethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183327
4-(4-methylpiperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109044877
[5-(benzylamino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184568

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone (CID 109183266) is (4-methylpiperidin-1-yl)-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone is CC1CCN(C(=O)c2ccc(NCc3ccncc3)cn2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone?
The InChIKey is AHGUSUFDGVLTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-14-6-10-22(11-7-14)18(23)17-3-2-16(13-21-17)20-12-15-4-8-19-9-5-15/h2-5,8-9,13-14,20H,6-7,10-12H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone?
(4-methylpiperidin-1-yl)-[5-(pyridin-4-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)-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109183266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).