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

C18H25N5O — CID 95603215

IUPAC[6-(dimethylamino)-3-pyridinyl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(C[C@@H]2CCCCN2C(=O)c2ccc(N(C)C)nc2)c1
InChIInChI=1S/C18H25N5O/c1-14-10-20-22(12-14)13-16-6-4-5-9-23(16)18(24)15-7-8-17(19-11-15)21(2)3/h7-8,10-12,16H,4-6,9,13H2,1-3H3/t16-/m0/s1
InChIKeyIZSOPMZIRBTPHX-INIZCTEOSA-N
MW327.43 g/mol
LogP2.35
Rot. Bonds4

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

[6-(dimethylamino)-3-pyridinyl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 95603215) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is [6-(dimethylamino)-3-pyridinyl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(dimethylamino)-3-pyridinyl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID95603215
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name[6-(dimethylamino)-3-pyridinyl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(C[C@@H]2CCCCN2C(=O)c2ccc(N(C)C)nc2)c1
InChIInChI=1S/C18H25N5O/c1-14-10-20-22(12-14)13-16-6-4-5-9-23(16)18(24)15-7-8-17(19-11-15)21(2)3/h7-8,10-12,16H,4-6,9,13H2,1-3H3/t16-/m0/s1
InChIKeyIZSOPMZIRBTPHX-INIZCTEOSA-N
XLogP2.35
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-methyl-5-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide
CID 95603465
[(2S)-2-[(dimethylamino)methyl]piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 95591150
(6-ethoxy-3-pyridinyl)-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95605710
2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95607626
1-methyl-4-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridin-2-one
CID 95315079
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carbonitrile
CID 95603426
2H-benzotriazol-5-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95349539
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanone
CID 129448791
2-cyclopentyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95603267
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 124569378
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 95603260
[6-(diethylamino)-3-pyridinyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95353897

Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)-3-pyridinyl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of [6-(dimethylamino)-3-pyridinyl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (CID 95603215) is [6-(dimethylamino)-3-pyridinyl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [6-(dimethylamino)-3-pyridinyl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [6-(dimethylamino)-3-pyridinyl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is Cc1cnn(C[C@@H]2CCCCN2C(=O)c2ccc(N(C)C)nc2)c1.
What is the InChIKey of [6-(dimethylamino)-3-pyridinyl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is IZSOPMZIRBTPHX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-10-20-22(12-14)13-16-6-4-5-9-23(16)18(24)15-7-8-17(19-11-15)21(2)3/h7-8,10-12,16H,4-6,9,13H2,1-3H3/t16-/m0/s1.
What are the key properties of [6-(dimethylamino)-3-pyridinyl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
[6-(dimethylamino)-3-pyridinyl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 327.43 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)-3-pyridinyl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 95603215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).