N-[[1-(3,3-dimethylbutanoyl)piperidin-4-ylidene]amino]pyridine-2-carboxamide

C17H24N4O2 — CID 71888278

IUPACN-[[1-(3,3-dimethylbutanoyl)piperidin-4-ylidene]amino]pyridine-2-carboxamide
SMILESCC(C)(C)CC(=O)N1CCC(=NNC(=O)c2ccccn2)CC1
InChIInChI=1S/C17H24N4O2/c1-17(2,3)12-15(22)21-10-7-13(8-11-21)19-20-16(23)14-6-4-5-9-18-14/h4-6,9H,7-8,10-12H2,1-3H3,(H,20,23)
InChIKeyNWTPVHPCQWERPV-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.23
Rot. Bonds3

About N-[[1-(3,3-dimethylbutanoyl)piperidin-4-ylidene]amino]pyridine-2-carboxamide

N-[[1-(3,3-dimethylbutanoyl)piperidin-4-ylidene]amino]pyridine-2-carboxamide (PubChem CID 71888278) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[[1-(3,3-dimethylbutanoyl)piperidin-4-ylidene]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(3,3-dimethylbutanoyl)piperidin-4-ylidene]amino]pyridine-2-carboxamide
PubChem CID71888278
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-[[1-(3,3-dimethylbutanoyl)piperidin-4-ylidene]amino]pyridine-2-carboxamide
SMILESCC(C)(C)CC(=O)N1CCC(=NNC(=O)c2ccccn2)CC1
InChIInChI=1S/C17H24N4O2/c1-17(2,3)12-15(22)21-10-7-13(8-11-21)19-20-16(23)14-6-4-5-9-18-14/h4-6,9H,7-8,10-12H2,1-3H3,(H,20,23)
InChIKeyNWTPVHPCQWERPV-UHFFFAOYSA-N
XLogP2.23
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[1-(3,3-dimethylbutanoyl)piperidin-4-ylidene]amino]pyridine-2-carboxamide?
The IUPAC name of N-[[1-(3,3-dimethylbutanoyl)piperidin-4-ylidene]amino]pyridine-2-carboxamide (CID 71888278) is N-[[1-(3,3-dimethylbutanoyl)piperidin-4-ylidene]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-[[1-(3,3-dimethylbutanoyl)piperidin-4-ylidene]amino]pyridine-2-carboxamide?
The canonical SMILES for N-[[1-(3,3-dimethylbutanoyl)piperidin-4-ylidene]amino]pyridine-2-carboxamide is CC(C)(C)CC(=O)N1CCC(=NNC(=O)c2ccccn2)CC1.
What is the InChIKey of N-[[1-(3,3-dimethylbutanoyl)piperidin-4-ylidene]amino]pyridine-2-carboxamide?
The InChIKey is NWTPVHPCQWERPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-17(2,3)12-15(22)21-10-7-13(8-11-21)19-20-16(23)14-6-4-5-9-18-14/h4-6,9H,7-8,10-12H2,1-3H3,(H,20,23).
What are the key properties of N-[[1-(3,3-dimethylbutanoyl)piperidin-4-ylidene]amino]pyridine-2-carboxamide?
N-[[1-(3,3-dimethylbutanoyl)piperidin-4-ylidene]amino]pyridine-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,3-dimethylbutanoyl)piperidin-4-ylidene]amino]pyridine-2-carboxamide is sourced from PubChem (CID 71888278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).