(2R)-2-cyano-2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide

C15H12N4O — CID 126203787

IUPAC(2R)-2-cyano-2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
SMILESN#C[C@H](C(=O)N/N=C\c1cccnc1)c1ccccc1
InChIInChI=1S/C15H12N4O/c16-9-14(13-6-2-1-3-7-13)15(20)19-18-11-12-5-4-8-17-10-12/h1-8,10-11,14H,(H,19,20)/b18-11-/t14-/m0/s1
InChIKeyIRNNEOZWLZXADC-DZBQEORWSA-N
MW264.29 g/mol
LogP1.84
Rot. Bonds4

About (2R)-2-cyano-2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide

(2R)-2-cyano-2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide (PubChem CID 126203787) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is (2R)-2-cyano-2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name(2R)-2-cyano-2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
PubChem CID126203787
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name(2R)-2-cyano-2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
SMILESN#C[C@H](C(=O)N/N=C\c1cccnc1)c1ccccc1
InChIInChI=1S/C15H12N4O/c16-9-14(13-6-2-1-3-7-13)15(20)19-18-11-12-5-4-8-17-10-12/h1-8,10-11,14H,(H,19,20)/b18-11-/t14-/m0/s1
InChIKeyIRNNEOZWLZXADC-DZBQEORWSA-N
XLogP1.84
TPSA78.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.84
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

(2S)-N-[(Z)-(4-chlorophenyl)methylideneamino]-2-cyano-2-phenylacetamide
CID 126210762
(2S)-2-amino-3-hydroxy-N-(pyridin-3-ylmethylideneamino)propanamide
CID 172842868
(2R)-2-cyano-2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]acetamide
CID 126211490
(2S)-2-cyano-2-phenyl-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126213918
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
(2R)-2-cyano-N-[(Z)-[4-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylacetamide
CID 126201806
(2R)-2-cyano-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-phenylacetamide
CID 137059469
(2R)-N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-cyano-2-phenylacetamide
CID 126204080
4,6-diphenyl-N-(pyridin-3-ylmethylideneamino)pyrimidine-2-carboxamide
CID 1381235
2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide
CID 4674781
N-[(E)-pyridin-3-ylmethylideneamino]pyridine-2-carboxamide
CID 6870358
2-(2-chlorophenyl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 25237213

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyano-2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide?
The IUPAC name of (2R)-2-cyano-2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide (CID 126203787) is (2R)-2-cyano-2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide.
What is the SMILES notation for (2R)-2-cyano-2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide?
The canonical SMILES for (2R)-2-cyano-2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is N#C[C@H](C(=O)N/N=C\c1cccnc1)c1ccccc1.
What is the InChIKey of (2R)-2-cyano-2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide?
The InChIKey is IRNNEOZWLZXADC-DZBQEORWSA-N. The full InChI is InChI=1S/C15H12N4O/c16-9-14(13-6-2-1-3-7-13)15(20)19-18-11-12-5-4-8-17-10-12/h1-8,10-11,14H,(H,19,20)/b18-11-/t14-/m0/s1.
What are the key properties of (2R)-2-cyano-2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide?
(2R)-2-cyano-2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide has a molecular weight of 264.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyano-2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is sourced from PubChem (CID 126203787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).