N-[(E)-[4-[(1-propan-2-yltriazol-4-yl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide

C19H20N6O2 — CID 90677395

IUPACN-[(E)-[4-[(1-propan-2-yltriazol-4-yl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
SMILESCC(C)n1cc(COc2ccc(/C=N/NC(=O)c3ccncc3)cc2)nn1
InChIInChI=1S/C19H20N6O2/c1-14(2)25-12-17(22-24-25)13-27-18-5-3-15(4-6-18)11-21-23-19(26)16-7-9-20-10-8-16/h3-12,14H,13H2,1-2H3,(H,23,26)/b21-11+
InChIKeyMMTBSGSEOSRLCT-SRZZPIQSSA-N
MW364.41 g/mol
LogP2.60
Rot. Bonds7

About N-[(E)-[4-[(1-propan-2-yltriazol-4-yl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide

N-[(E)-[4-[(1-propan-2-yltriazol-4-yl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 90677395) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[(E)-[4-[(1-propan-2-yltriazol-4-yl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-[(1-propan-2-yltriazol-4-yl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID90677395
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-[(E)-[4-[(1-propan-2-yltriazol-4-yl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
SMILESCC(C)n1cc(COc2ccc(/C=N/NC(=O)c3ccncc3)cc2)nn1
InChIInChI=1S/C19H20N6O2/c1-14(2)25-12-17(22-24-25)13-27-18-5-3-15(4-6-18)11-21-23-19(26)16-7-9-20-10-8-16/h3-12,14H,13H2,1-2H3,(H,23,26)/b21-11+
InChIKeyMMTBSGSEOSRLCT-SRZZPIQSSA-N
XLogP2.60
TPSA94.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

[1-[2-[4-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenoxy]ethyl]triazol-4-yl]methyl propanoate
CID 90677380
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6868906
N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1022163
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 4154310
N-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 126171061
N-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 51042560
4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide
CID 3342882
1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-[(E)-[4-[2-oxo-2-(pyridin-3-ylamino)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 122191414
N-[(E)-[4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 122191415
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[(1-propan-2-yltriazol-4-yl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[4-[(1-propan-2-yltriazol-4-yl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide (CID 90677395) is N-[(E)-[4-[(1-propan-2-yltriazol-4-yl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[4-[(1-propan-2-yltriazol-4-yl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[4-[(1-propan-2-yltriazol-4-yl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide is CC(C)n1cc(COc2ccc(/C=N/NC(=O)c3ccncc3)cc2)nn1.
What is the InChIKey of N-[(E)-[4-[(1-propan-2-yltriazol-4-yl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is MMTBSGSEOSRLCT-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-14(2)25-12-17(22-24-25)13-27-18-5-3-15(4-6-18)11-21-23-19(26)16-7-9-20-10-8-16/h3-12,14H,13H2,1-2H3,(H,23,26)/b21-11+.
What are the key properties of N-[(E)-[4-[(1-propan-2-yltriazol-4-yl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide?
N-[(E)-[4-[(1-propan-2-yltriazol-4-yl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[(1-propan-2-yltriazol-4-yl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 90677395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).