N,1-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-4-carboxamide

C17H23N5O — CID 175648675

IUPACN,1-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-4-carboxamide
SMILESCc1ccc(N2CCC(N(C)C(=O)c3cnn(C)c3)CC2)nc1
InChIInChI=1S/C17H23N5O/c1-13-4-5-16(18-10-13)22-8-6-15(7-9-22)21(3)17(23)14-11-19-20(2)12-14/h4-5,10-12,15H,6-9H2,1-3H3
InChIKeyFMVKULHWTIUHGC-UHFFFAOYSA-N
MW313.41 g/mol
LogP1.86
Rot. Bonds3

About N,1-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-4-carboxamide

N,1-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 175648675) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N,1-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID175648675
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN,1-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-4-carboxamide
SMILESCc1ccc(N2CCC(N(C)C(=O)c3cnn(C)c3)CC2)nc1
InChIInChI=1S/C17H23N5O/c1-13-4-5-16(18-10-13)22-8-6-15(7-9-22)21(3)17(23)14-11-19-20(2)12-14/h4-5,10-12,15H,6-9H2,1-3H3
InChIKeyFMVKULHWTIUHGC-UHFFFAOYSA-N
XLogP1.86
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-4-carboxamide (CID 175648675) is N,1-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-4-carboxamide is Cc1ccc(N2CCC(N(C)C(=O)c3cnn(C)c3)CC2)nc1.
What is the InChIKey of N,1-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is FMVKULHWTIUHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-4-5-16(18-10-13)22-8-6-15(7-9-22)21(3)17(23)14-11-19-20(2)12-14/h4-5,10-12,15H,6-9H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-4-carboxamide?
N,1-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 175648675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).