N-[(4Z,5E)-4-[2-(1-methylpyrazol-4-yl)propylidene]-5-(propylaminomethylidene)-2-pyridinyl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide

C26H35N7O2 — CID 142583513

IUPACN-[(4Z,5E)-4-[2-(1-methylpyrazol-4-yl)propylidene]-5-(propylaminomethylidene)-2-pyridinyl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide
SMILESCCCN/C=c1/cnc(NC(=O)C2CCN(Cc3ncco3)CC2)c/c1=C/C(C)c1cnn(C)c1
InChIInChI=1S/C26H35N7O2/c1-4-7-27-14-22-15-29-24(13-21(22)12-19(2)23-16-30-32(3)17-23)31-26(34)20-5-9-33(10-6-20)18-25-28-8-11-35-25/h8,11-17,19-20,27H,4-7,9-10,18H2,1-3H3,(H,31,34)/b21-12-,22-14-
InChIKeyZBAKYYVQUDGABW-GWGAMZPFSA-N
MW477.61 g/mol
LogP1.98
Rot. Bonds9

About N-[(4Z,5E)-4-[2-(1-methylpyrazol-4-yl)propylidene]-5-(propylaminomethylidene)-2-pyridinyl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide

N-[(4Z,5E)-4-[2-(1-methylpyrazol-4-yl)propylidene]-5-(propylaminomethylidene)-2-pyridinyl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 142583513) has the molecular formula C26H35N7O2 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[(4Z,5E)-4-[2-(1-methylpyrazol-4-yl)propylidene]-5-(propylaminomethylidene)-2-pyridinyl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4Z,5E)-4-[2-(1-methylpyrazol-4-yl)propylidene]-5-(propylaminomethylidene)-2-pyridinyl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide
PubChem CID142583513
Molecular FormulaC26H35N7O2
Molecular Weight477.61 g/mol
Exact Mass477.29
IUPAC NameN-[(4Z,5E)-4-[2-(1-methylpyrazol-4-yl)propylidene]-5-(propylaminomethylidene)-2-pyridinyl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide
SMILESCCCN/C=c1/cnc(NC(=O)C2CCN(Cc3ncco3)CC2)c/c1=C/C(C)c1cnn(C)c1
InChIInChI=1S/C26H35N7O2/c1-4-7-27-14-22-15-29-24(13-21(22)12-19(2)23-16-30-32(3)17-23)31-26(34)20-5-9-33(10-6-20)18-25-28-8-11-35-25/h8,11-17,19-20,27H,4-7,9-10,18H2,1-3H3,(H,31,34)/b21-12-,22-14-
InChIKeyZBAKYYVQUDGABW-GWGAMZPFSA-N
XLogP1.98
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4Z,5E)-4-[2-(1-methylpyrazol-4-yl)propylidene]-5-(propylaminomethylidene)-2-pyridinyl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-[(4Z,5E)-4-[2-(1-methylpyrazol-4-yl)propylidene]-5-(propylaminomethylidene)-2-pyridinyl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide (CID 142583513) is N-[(4Z,5E)-4-[2-(1-methylpyrazol-4-yl)propylidene]-5-(propylaminomethylidene)-2-pyridinyl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4Z,5E)-4-[2-(1-methylpyrazol-4-yl)propylidene]-5-(propylaminomethylidene)-2-pyridinyl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4Z,5E)-4-[2-(1-methylpyrazol-4-yl)propylidene]-5-(propylaminomethylidene)-2-pyridinyl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide is CCCN/C=c1/cnc(NC(=O)C2CCN(Cc3ncco3)CC2)c/c1=C/C(C)c1cnn(C)c1.
What is the InChIKey of N-[(4Z,5E)-4-[2-(1-methylpyrazol-4-yl)propylidene]-5-(propylaminomethylidene)-2-pyridinyl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is ZBAKYYVQUDGABW-GWGAMZPFSA-N. The full InChI is InChI=1S/C26H35N7O2/c1-4-7-27-14-22-15-29-24(13-21(22)12-19(2)23-16-30-32(3)17-23)31-26(34)20-5-9-33(10-6-20)18-25-28-8-11-35-25/h8,11-17,19-20,27H,4-7,9-10,18H2,1-3H3,(H,31,34)/b21-12-,22-14-.
What are the key properties of N-[(4Z,5E)-4-[2-(1-methylpyrazol-4-yl)propylidene]-5-(propylaminomethylidene)-2-pyridinyl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide?
N-[(4Z,5E)-4-[2-(1-methylpyrazol-4-yl)propylidene]-5-(propylaminomethylidene)-2-pyridinyl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 477.61 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4Z,5E)-4-[2-(1-methylpyrazol-4-yl)propylidene]-5-(propylaminomethylidene)-2-pyridinyl]-1-(1,3-oxazol-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 142583513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).