N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide

C20H17N3O2 — CID 950938

IUPACN-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(NN=Cc1cccc(OCc2ccccc2)c1)c1ccccn1
InChIInChI=1S/C20H17N3O2/c24-20(19-11-4-5-12-21-19)23-22-14-17-9-6-10-18(13-17)25-15-16-7-2-1-3-8-16/h1-14H,15H2,(H,23,24)
InChIKeyYUMMSTFCMYUQHQ-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.42
Rot. Bonds6

About N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide

N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide (PubChem CID 950938) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide
PubChem CID950938
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide
SMILESO=C(NN=Cc1cccc(OCc2ccccc2)c1)c1ccccn1
InChIInChI=1S/C20H17N3O2/c24-20(19-11-4-5-12-21-19)23-22-14-17-9-6-10-18(13-17)25-15-16-7-2-1-3-8-16/h1-14H,15H2,(H,23,24)
InChIKeyYUMMSTFCMYUQHQ-UHFFFAOYSA-N
XLogP3.42
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.42
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-[(Z)-(3-ethoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 40618803
N-[(Z)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]pyridine-2-carboxamide
CID 9194640
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 6893810
N-[(3-methoxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 761649
N-[(E)-(3-hydroxyphenyl)methylideneamino]pyridine-2-carboxamide
CID 6887460
4-hydroxy-N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6900167
3-chloro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 5211161
N-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-N'-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 98079441
2-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]acetamide
CID 932175
4-fluoro-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 679117
3,4,5-trihydroxy-N-[(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 1028250
2,4-dichloro-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6107942

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide (CID 950938) is N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide is O=C(NN=Cc1cccc(OCc2ccccc2)c1)c1ccccn1.
What is the InChIKey of N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide?
The InChIKey is YUMMSTFCMYUQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-20(19-11-4-5-12-21-19)23-22-14-17-9-6-10-18(13-17)25-15-16-7-2-1-3-8-16/h1-14H,15H2,(H,23,24).
What are the key properties of N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide?
N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 950938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).