N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide

C16H17N3O4 — CID 6887786

IUPACN-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCOc1cc(OC)c(/C=N/NC(=O)c2ccncc2)c(OC)c1
InChIInChI=1S/C16H17N3O4/c1-21-12-8-14(22-2)13(15(9-12)23-3)10-18-19-16(20)11-4-6-17-7-5-11/h4-10H,1-3H3,(H,19,20)/b18-10+
InChIKeyBCQROTLTENFYGQ-VCHYOVAHSA-N
MW315.33 g/mol
LogP1.87
Rot. Bonds6

About N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 6887786) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID6887786
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
SMILESCOc1cc(OC)c(/C=N/NC(=O)c2ccncc2)c(OC)c1
InChIInChI=1S/C16H17N3O4/c1-21-12-8-14(22-2)13(15(9-12)23-3)10-18-19-16(20)11-4-6-17-7-5-11/h4-10H,1-3H3,(H,19,20)/b18-10+
InChIKeyBCQROTLTENFYGQ-VCHYOVAHSA-N
XLogP1.87
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.87
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)-(2,4,6-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide (CID 6887786) is N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide is COc1cc(OC)c(/C=N/NC(=O)c2ccncc2)c(OC)c1.
What is the InChIKey of N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is BCQROTLTENFYGQ-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-21-12-8-14(22-2)13(15(9-12)23-3)10-18-19-16(20)11-4-6-17-7-5-11/h4-10H,1-3H3,(H,19,20)/b18-10+.
What are the key properties of N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4,6-trimethoxyphenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6887786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).