N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide

C16H17N3O — CID 4683801

IUPACN-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide
SMILESCC(=NNC(=O)c1cccnc1)c1ccc(C)c(C)c1
InChIInChI=1S/C16H17N3O/c1-11-6-7-14(9-12(11)2)13(3)18-19-16(20)15-5-4-8-17-10-15/h4-10H,1-3H3,(H,19,20)
InChIKeyJIJCJMNOFKUBHX-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.85
Rot. Bonds3

About N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide

N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide (PubChem CID 4683801) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide
PubChem CID4683801
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide
SMILESCC(=NNC(=O)c1cccnc1)c1ccc(C)c(C)c1
InChIInChI=1S/C16H17N3O/c1-11-6-7-14(9-12(11)2)13(3)18-19-16(20)15-5-4-8-17-10-15/h4-10H,1-3H3,(H,19,20)
InChIKeyJIJCJMNOFKUBHX-UHFFFAOYSA-N
XLogP2.85
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059755
N-[(Z)-1-(4-iodophenyl)ethylideneamino]pyridine-3-carboxamide
CID 9059749
N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4227241
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 5139408
N-[1-(4-tert-butylphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4836871
N-[(Z)-1-(1,3-benzodioxol-5-yl)ethylideneamino]pyridine-3-carboxamide
CID 6261518
N-[1-[3-(trifluoromethyl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 4836895
N-[(Z)-1-(6-methyl-2-pyridinyl)ethylideneamino]pyridine-3-carboxamide
CID 20843946
N-[(Z)-1-[4-(2-methylpropyl)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 9059720
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 135889728
3,4-dimethyl-N-[1-(4-phenylphenyl)ethylideneamino]benzamide
CID 4588942
N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridine-3-carboxamide
CID 4606175

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide (CID 4683801) is N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide is CC(=NNC(=O)c1cccnc1)c1ccc(C)c(C)c1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide?
The InChIKey is JIJCJMNOFKUBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-6-7-14(9-12(11)2)13(3)18-19-16(20)15-5-4-8-17-10-15/h4-10H,1-3H3,(H,19,20).
What are the key properties of N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide?
N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)ethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 4683801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).