[5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone

C15H23ClN4O — CID 62181222

IUPAC[5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
SMILESCNc1ncc(C(=O)N2CCC(CN(C)C)CC2)cc1Cl
InChIInChI=1S/C15H23ClN4O/c1-17-14-13(16)8-12(9-18-14)15(21)20-6-4-11(5-7-20)10-19(2)3/h8-9,11H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyTUZRMHACKKVGOY-UHFFFAOYSA-N
MW310.83 g/mol
LogP2.19
Rot. Bonds4

About [5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone

[5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone (PubChem CID 62181222) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is [5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
PubChem CID62181222
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name[5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
SMILESCNc1ncc(C(=O)N2CCC(CN(C)C)CC2)cc1Cl
InChIInChI=1S/C15H23ClN4O/c1-17-14-13(16)8-12(9-18-14)15(21)20-6-4-11(5-7-20)10-19(2)3/h8-9,11H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyTUZRMHACKKVGOY-UHFFFAOYSA-N
XLogP2.19
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-6-(methylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone
CID 113418732
[5-chloro-6-(methylamino)-3-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63175204
(5-chloro-6-hydrazinyl-3-pyridinyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62233957
[5-chloro-6-(methylamino)-3-pyridinyl]-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]methanone
CID 66052597
(5-chloro-6-hydrazinyl-3-pyridinyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62890279
[5-chloro-6-(methylamino)-3-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 63604961
1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 60637345
5-chloro-N-methyl-6-(methylamino)-N-(1-methylpiperidin-4-yl)pyridine-3-carboxamide
CID 62166006
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63859263
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-[5-chloro-6-(methylamino)-3-pyridinyl]methanone
CID 82752372
(5-chloro-6-hydrazinyl-3-pyridinyl)-(4-methylazepan-1-yl)methanone
CID 55247680
[5-chloro-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270949

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The IUPAC name of [5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone (CID 62181222) is [5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone is CNc1ncc(C(=O)N2CCC(CN(C)C)CC2)cc1Cl.
What is the InChIKey of [5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
The InChIKey is TUZRMHACKKVGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-17-14-13(16)8-12(9-18-14)15(21)20-6-4-11(5-7-20)10-19(2)3/h8-9,11H,4-7,10H2,1-3H3,(H,17,18).
What are the key properties of [5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone?
[5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone has a molecular weight of 310.83 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 62181222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).