N-[(E)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide

C22H24N6O — CID 6893258

IUPACN-[(E)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)c1ccncc1
InChIInChI=1S/C22H24N6O/c1-17-20(16-24-25-21(29)18-10-12-23-13-11-18)22(27-14-6-3-7-15-27)28(26-17)19-8-4-2-5-9-19/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,25,29)/b24-16+
InChIKeyPENRQAZKYXZDQN-LFVJCYFKSA-N
MW388.48 g/mol
LogP3.33
Rot. Bonds5

About N-[(E)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide (PubChem CID 6893258) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N-[(E)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
PubChem CID6893258
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN-[(E)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)c1ccncc1
InChIInChI=1S/C22H24N6O/c1-17-20(16-24-25-21(29)18-10-12-23-13-11-18)22(27-14-6-3-7-15-27)28(26-17)19-8-4-2-5-9-19/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,25,29)/b24-16+
InChIKeyPENRQAZKYXZDQN-LFVJCYFKSA-N
XLogP3.33
TPSA75.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide (CID 6893258) is N-[(E)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide is Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)c1ccncc1.
What is the InChIKey of N-[(E)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is PENRQAZKYXZDQN-LFVJCYFKSA-N. The full InChI is InChI=1S/C22H24N6O/c1-17-20(16-24-25-21(29)18-10-12-23-13-11-18)22(27-14-6-3-7-15-27)28(26-17)19-8-4-2-5-9-19/h2,4-5,8-13,16H,3,6-7,14-15H2,1H3,(H,25,29)/b24-16+.
What are the key properties of N-[(E)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6893258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).