N-[1-(4-cyano-3-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide

C18H22N6O — CID 172891303

IUPACN-[1-(4-cyano-3-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCN(c3cnccc3C#N)CC2)nn1C
InChIInChI=1S/C18H22N6O/c1-13-10-16(21-23(13)3)18(25)22(2)15-5-8-24(9-6-15)17-12-20-7-4-14(17)11-19/h4,7,10,12,15H,5-6,8-9H2,1-3H3
InChIKeyCHWAMZSJEPMYLE-UHFFFAOYSA-N
MW338.42 g/mol
LogP1.74
Rot. Bonds3

About N-[1-(4-cyano-3-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide

N-[1-(4-cyano-3-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide (PubChem CID 172891303) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[1-(4-cyano-3-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyano-3-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
PubChem CID172891303
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN-[1-(4-cyano-3-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C2CCN(c3cnccc3C#N)CC2)nn1C
InChIInChI=1S/C18H22N6O/c1-13-10-16(21-23(13)3)18(25)22(2)15-5-8-24(9-6-15)17-12-20-7-4-14(17)11-19/h4,7,10,12,15H,5-6,8-9H2,1-3H3
InChIKeyCHWAMZSJEPMYLE-UHFFFAOYSA-N
XLogP1.74
TPSA78.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[1-(4-cyano-3-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[1-(6-cyano-3-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172891304
N-[1-(3-cyanoquinolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172881913
N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172892168
N,1,5-trimethyl-N-(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 172881810
1-(4-cyano-3-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 172890931
N-[1-(5-bromo-3-methyl-2-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172881149
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172933852
N-[1-(6-bromoquinazolin-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172882008
3-(4-methylazepan-1-yl)pyridine-4-carbonitrile
CID 114287585
3-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 103888677
N,1,5-trimethyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
CID 172933883
N-[1-(6-ethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide
CID 172882011

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyano-3-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(4-cyano-3-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide (CID 172891303) is N-[1-(4-cyano-3-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-cyano-3-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4-cyano-3-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)C2CCN(c3cnccc3C#N)CC2)nn1C.
What is the InChIKey of N-[1-(4-cyano-3-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
The InChIKey is CHWAMZSJEPMYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13-10-16(21-23(13)3)18(25)22(2)15-5-8-24(9-6-15)17-12-20-7-4-14(17)11-19/h4,7,10,12,15H,5-6,8-9H2,1-3H3.
What are the key properties of N-[1-(4-cyano-3-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide?
N-[1-(4-cyano-3-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyano-3-pyridinyl)piperidin-4-yl]-N,1,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 172891303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).