6-[[3-methyl-1-[5-methyl-2-(1-methylpyrazol-4-yl)benzoyl]piperidin-2-yl]methylamino]pyridine-2-carbonitrile

C25H28N6O — CID 123678770

IUPAC6-[[3-methyl-1-[5-methyl-2-(1-methylpyrazol-4-yl)benzoyl]piperidin-2-yl]methylamino]pyridine-2-carbonitrile
SMILESCc1ccc(-c2cnn(C)c2)c(C(=O)N2CCCC(C)C2CNc2cccc(C#N)n2)c1
InChIInChI=1S/C25H28N6O/c1-17-9-10-21(19-14-28-30(3)16-19)22(12-17)25(32)31-11-5-6-18(2)23(31)15-27-24-8-4-7-20(13-26)29-24/h4,7-10,12,14,16,18,23H,5-6,11,15H2,1-3H3,(H,27,29)
InChIKeyDWDULPQCXVHZIV-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.01
Rot. Bonds5

About 6-[[3-methyl-1-[5-methyl-2-(1-methylpyrazol-4-yl)benzoyl]piperidin-2-yl]methylamino]pyridine-2-carbonitrile

6-[[3-methyl-1-[5-methyl-2-(1-methylpyrazol-4-yl)benzoyl]piperidin-2-yl]methylamino]pyridine-2-carbonitrile (PubChem CID 123678770) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 6-[[3-methyl-1-[5-methyl-2-(1-methylpyrazol-4-yl)benzoyl]piperidin-2-yl]methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[3-methyl-1-[5-methyl-2-(1-methylpyrazol-4-yl)benzoyl]piperidin-2-yl]methylamino]pyridine-2-carbonitrile
PubChem CID123678770
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name6-[[3-methyl-1-[5-methyl-2-(1-methylpyrazol-4-yl)benzoyl]piperidin-2-yl]methylamino]pyridine-2-carbonitrile
SMILESCc1ccc(-c2cnn(C)c2)c(C(=O)N2CCCC(C)C2CNc2cccc(C#N)n2)c1
InChIInChI=1S/C25H28N6O/c1-17-9-10-21(19-14-28-30(3)16-19)22(12-17)25(32)31-11-5-6-18(2)23(31)15-27-24-8-4-7-20(13-26)29-24/h4,7-10,12,14,16,18,23H,5-6,11,15H2,1-3H3,(H,27,29)
InChIKeyDWDULPQCXVHZIV-UHFFFAOYSA-N
XLogP4.01
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-methyl-2-(1-methylpyrazol-4-yl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 71715787
[(2S)-2-[[(5-chloro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)phenyl]methanone
CID 129025924
6-[[3-methyl-1-[5-methyl-2-(triazol-2-yl)benzoyl]piperidin-2-yl]methylamino]pyridazine-3-carbonitrile
CID 123869673
[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 129025985
[5-methyl-2-(2-methyl-4-pyridinyl)phenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 123861542
(5-methyl-2-pyrimidin-5-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 129025216
(5-methyl-2-pyrimidin-2-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 129025218
[5-methyl-2-(2H-tetrazol-5-yl)phenyl]-[(2S)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 162596218
[2-(2-methoxypyrimidin-5-yl)-5-methylphenyl]-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 123243665
[(3R)-3-methyl-2-[[(5-methyl-2-pyridinyl)amino]methyl]piperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 129025807
[(3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[5-methyl-2-(6-methyl-2-pyridinyl)phenyl]methanone
CID 129026189
[2-[[(5-chloro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-[5-methyl-2-(1-methylpyrazol-4-yl)-3-pyridinyl]methanone
CID 123512474

Frequently Asked Questions

What is the IUPAC name of 6-[[3-methyl-1-[5-methyl-2-(1-methylpyrazol-4-yl)benzoyl]piperidin-2-yl]methylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[3-methyl-1-[5-methyl-2-(1-methylpyrazol-4-yl)benzoyl]piperidin-2-yl]methylamino]pyridine-2-carbonitrile (CID 123678770) is 6-[[3-methyl-1-[5-methyl-2-(1-methylpyrazol-4-yl)benzoyl]piperidin-2-yl]methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[3-methyl-1-[5-methyl-2-(1-methylpyrazol-4-yl)benzoyl]piperidin-2-yl]methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[3-methyl-1-[5-methyl-2-(1-methylpyrazol-4-yl)benzoyl]piperidin-2-yl]methylamino]pyridine-2-carbonitrile is Cc1ccc(-c2cnn(C)c2)c(C(=O)N2CCCC(C)C2CNc2cccc(C#N)n2)c1.
What is the InChIKey of 6-[[3-methyl-1-[5-methyl-2-(1-methylpyrazol-4-yl)benzoyl]piperidin-2-yl]methylamino]pyridine-2-carbonitrile?
The InChIKey is DWDULPQCXVHZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-17-9-10-21(19-14-28-30(3)16-19)22(12-17)25(32)31-11-5-6-18(2)23(31)15-27-24-8-4-7-20(13-26)29-24/h4,7-10,12,14,16,18,23H,5-6,11,15H2,1-3H3,(H,27,29).
What are the key properties of 6-[[3-methyl-1-[5-methyl-2-(1-methylpyrazol-4-yl)benzoyl]piperidin-2-yl]methylamino]pyridine-2-carbonitrile?
6-[[3-methyl-1-[5-methyl-2-(1-methylpyrazol-4-yl)benzoyl]piperidin-2-yl]methylamino]pyridine-2-carbonitrile has a molecular weight of 428.54 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-methyl-1-[5-methyl-2-(1-methylpyrazol-4-yl)benzoyl]piperidin-2-yl]methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 123678770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).