[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone

C18H25N5O — CID 119397753

IUPAC[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2ccc(-n3nc(C)cc3C)nc2)C1
InChIInChI=1S/C18H25N5O/c1-13-9-14(2)23(21-13)17-7-6-16(11-20-17)18(24)22-8-4-5-15(12-22)10-19-3/h6-7,9,11,15,19H,4-5,8,10,12H2,1-3H3
InChIKeyGRKSWCCBBHDIAR-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.96
Rot. Bonds4

About [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone

[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119397753) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119397753
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2ccc(-n3nc(C)cc3C)nc2)C1
InChIInChI=1S/C18H25N5O/c1-13-9-14(2)23(21-13)17-7-6-16(11-20-17)18(24)22-8-4-5-15(12-22)10-19-3/h6-7,9,11,15,19H,4-5,8,10,12H2,1-3H3
InChIKeyGRKSWCCBBHDIAR-UHFFFAOYSA-N
XLogP1.96
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753585
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023380
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[(7S)-7-methyl-1,4-thiazepan-4-yl]methanone
CID 99833538
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119538843
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
1-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]propan-1-one
CID 119397428
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55917792
(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205449
[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119398124
1-(cyclobutylmethyl)-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]urea
CID 51084393

Frequently Asked Questions

What is the IUPAC name of [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone (CID 119397753) is [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCN(C(=O)c2ccc(-n3nc(C)cc3C)nc2)C1.
What is the InChIKey of [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is GRKSWCCBBHDIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13-9-14(2)23(21-13)17-7-6-16(11-20-17)18(24)22-8-4-5-15(12-22)10-19-3/h6-7,9,11,15,19H,4-5,8,10,12H2,1-3H3.
What are the key properties of [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone?
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 327.43 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119397753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).