[4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C13H19N3O — CID 62171607

IUPAC[4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCNc1ccnc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C13H19N3O/c1-10-4-7-16(8-5-10)13(17)12-9-11(14-2)3-6-15-12/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,14,15)
InChIKeyRVAUTPMEFOHUNQ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.00
Rot. Bonds2

About [4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 62171607) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID62171607
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCNc1ccnc(C(=O)N2CCC(C)CC2)c1
InChIInChI=1S/C13H19N3O/c1-10-4-7-16(8-5-10)13(17)12-9-11(14-2)3-6-15-12/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,14,15)
InChIKeyRVAUTPMEFOHUNQ-UHFFFAOYSA-N
XLogP2.00
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(hydroxymethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 55042246
[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 106837578
(4-hydroxy-3-methylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone
CID 114681646
(4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone
CID 62930528
[4-(3,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205154
[4-(furan-2-ylmethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205080
[4-(2,4-dimethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205152
[4-(2-bromoanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205215
[3-(diethylamino)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 63175115
[4-[2-(4-fluorophenyl)ethylamino]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205101
(4-methylpiperidin-1-yl)-[4-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109205195
(4-methylpiperidin-1-yl)-[4-(pyridin-3-ylmethylamino)-2-pyridinyl]methanone
CID 109205096

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 62171607) is [4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is CNc1ccnc(C(=O)N2CCC(C)CC2)c1.
What is the InChIKey of [4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is RVAUTPMEFOHUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-4-7-16(8-5-10)13(17)12-9-11(14-2)3-6-15-12/h3,6,9-10H,4-5,7-8H2,1-2H3,(H,14,15).
What are the key properties of [4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 62171607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).