N-[(E)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]pyridine-4-carboxamide

C17H11ClFN5O2 — CID 6877302

IUPACN-[(E)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccc(Oc2nc(Cl)ncc2F)cc1)c1ccncc1
InChIInChI=1S/C17H11ClFN5O2/c18-17-21-10-14(19)16(23-17)26-13-3-1-11(2-4-13)9-22-24-15(25)12-5-7-20-8-6-12/h1-10H,(H,24,25)/b22-9+
InChIKeyNUXCVCCIKHNLAQ-LSFURLLWSA-N
MW371.76 g/mol
LogP3.22
Rot. Bonds5

About N-[(E)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]pyridine-4-carboxamide

N-[(E)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 6877302) has the molecular formula C17H11ClFN5O2 and a molecular weight of 371.76 g/mol. Its IUPAC name is N-[(E)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID6877302
Molecular FormulaC17H11ClFN5O2
Molecular Weight371.76 g/mol
Exact Mass371.06
IUPAC NameN-[(E)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccc(Oc2nc(Cl)ncc2F)cc1)c1ccncc1
InChIInChI=1S/C17H11ClFN5O2/c18-17-21-10-14(19)16(23-17)26-13-3-1-11(2-4-13)9-22-24-15(25)12-5-7-20-8-6-12/h1-10H,(H,24,25)/b22-9+
InChIKeyNUXCVCCIKHNLAQ-LSFURLLWSA-N
XLogP3.22
TPSA89.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.76
LogP ≤ 53.22
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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Related Compounds

N-[(E)-[4-(4-methylphenoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 51042560
N-[[3-(2-chloro-5-fluoropyrimidin-4-yl)oxy-4-methoxyphenyl]methylideneamino]pyridine-3-carboxamide
CID 3295134
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
N-[(Z)-[3-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]-3-(2,5-dimethylpyrrol-1-yl)benzamide
CID 6150448
N-[[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1022163
N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
CID 4154310
N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 6868906
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577
4-prop-2-enoxy-N-(pyridin-4-ylmethylideneamino)benzamide
CID 3342882
N-[(E)-(4-fluorophenyl)methylideneamino]-4-methoxybenzamide
CID 6870619
N-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
CID 126171061

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]pyridine-4-carboxamide (CID 6877302) is N-[(E)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1ccc(Oc2nc(Cl)ncc2F)cc1)c1ccncc1.
What is the InChIKey of N-[(E)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is NUXCVCCIKHNLAQ-LSFURLLWSA-N. The full InChI is InChI=1S/C17H11ClFN5O2/c18-17-21-10-14(19)16(23-17)26-13-3-1-11(2-4-13)9-22-24-15(25)12-5-7-20-8-6-12/h1-10H,(H,24,25)/b22-9+.
What are the key properties of N-[(E)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]pyridine-4-carboxamide?
N-[(E)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 371.76 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(2-chloro-5-fluoropyrimidin-4-yl)oxyphenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 6877302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).