N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]pyridine-2-carboxamide

C16H15F2N3O2 — CID 9015650

IUPACN-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]pyridine-2-carboxamide
SMILESCc1cc(/C=N\NC(=O)c2ccccn2)cc(C)c1OC(F)F
InChIInChI=1S/C16H15F2N3O2/c1-10-7-12(8-11(2)14(10)23-16(17)18)9-20-21-15(22)13-5-3-4-6-19-13/h3-9,16H,1-2H3,(H,21,22)/b20-9-
InChIKeyVALCKJGBCBJACT-UKWGHVSLSA-N
MW319.31 g/mol
LogP3.06
Rot. Bonds5

About N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]pyridine-2-carboxamide

N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]pyridine-2-carboxamide (PubChem CID 9015650) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]pyridine-2-carboxamide
PubChem CID9015650
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC NameN-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]pyridine-2-carboxamide
SMILESCc1cc(/C=N\NC(=O)c2ccccn2)cc(C)c1OC(F)F
InChIInChI=1S/C16H15F2N3O2/c1-10-7-12(8-11(2)14(10)23-16(17)18)9-20-21-15(22)13-5-3-4-6-19-13/h3-9,16H,1-2H3,(H,21,22)/b20-9-
InChIKeyVALCKJGBCBJACT-UKWGHVSLSA-N
XLogP3.06
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.06
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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Related Compounds

N-[(E)-(3-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6887460
N-[(3-chloro-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 871932
N-[(3-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 761649
tert-butyl N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]carbamate
CID 9074714
N-[(Z)-(3-ethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 40618803
N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 9180158
N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6866321
N-[(E)-(3-iodo-4-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 5335096
N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide
CID 6879061
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-2-carboxamide
CID 44507518
N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
CID 6870358
N-[(Z)-(3-methoxy-2-propan-2-yloxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 9015602

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]pyridine-2-carboxamide (CID 9015650) is N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]pyridine-2-carboxamide is Cc1cc(/C=N\NC(=O)c2ccccn2)cc(C)c1OC(F)F.
What is the InChIKey of N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]pyridine-2-carboxamide?
The InChIKey is VALCKJGBCBJACT-UKWGHVSLSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c1-10-7-12(8-11(2)14(10)23-16(17)18)9-20-21-15(22)13-5-3-4-6-19-13/h3-9,16H,1-2H3,(H,21,22)/b20-9-.
What are the key properties of N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]pyridine-2-carboxamide?
N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]pyridine-2-carboxamide has a molecular weight of 319.31 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 9015650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).