[4-[4-(dimethylamino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

C18H25N5O — CID 95828652

IUPAC[4-[4-(dimethylamino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1cc(N(C)C)cc(C2CCN(C(=O)c3ccn(C)n3)CC2)n1
InChIInChI=1S/C18H25N5O/c1-13-11-15(21(2)3)12-17(19-13)14-5-9-23(10-6-14)18(24)16-7-8-22(4)20-16/h7-8,11-12,14H,5-6,9-10H2,1-4H3
InChIKeyLKMBYHJJXJJCCD-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.21
Rot. Bonds3

About [4-[4-(dimethylamino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone

[4-[4-(dimethylamino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 95828652) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is [4-[4-(dimethylamino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[4-(dimethylamino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID95828652
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name[4-[4-(dimethylamino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1cc(N(C)C)cc(C2CCN(C(=O)c3ccn(C)n3)CC2)n1
InChIInChI=1S/C18H25N5O/c1-13-11-15(21(2)3)12-17(19-13)14-5-9-23(10-6-14)18(24)16-7-8-22(4)20-16/h7-8,11-12,14H,5-6,9-10H2,1-4H3
InChIKeyLKMBYHJJXJJCCD-UHFFFAOYSA-N
XLogP2.21
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylpyrazol-3-yl)-[4-(6-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824434
[4-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95845578
[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 124986912
[(3R)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 95845523
(1-methylpyrazol-3-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 95824432
5-[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 124963837
(1-methylpyrazol-3-yl)-[(3S)-3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]methanone
CID 124941665
2-cyclopentyl-N,N,6-trimethylpyridin-4-amine
CID 144801965
[3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 110105995
[4-(aminomethyl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103115889
(4-methylpiperazin-1-yl)-(1-methylpyrazol-3-yl)methanone
CID 2172453
(1-methylpyrazol-3-yl)-piperidin-1-ylmethanone
CID 19577577

Frequently Asked Questions

What is the IUPAC name of [4-[4-(dimethylamino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-[4-(dimethylamino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 95828652) is [4-[4-(dimethylamino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-[4-(dimethylamino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-[4-(dimethylamino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is Cc1cc(N(C)C)cc(C2CCN(C(=O)c3ccn(C)n3)CC2)n1.
What is the InChIKey of [4-[4-(dimethylamino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is LKMBYHJJXJJCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-11-15(21(2)3)12-17(19-13)14-5-9-23(10-6-14)18(24)16-7-8-22(4)20-16/h7-8,11-12,14H,5-6,9-10H2,1-4H3.
What are the key properties of [4-[4-(dimethylamino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
[4-[4-(dimethylamino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(dimethylamino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 95828652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).