N-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide

C17H19N3O3 — CID 84508322

IUPACN-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(N2CCOCC2)cc1NC(=O)c1ccncc1
InChIInChI=1S/C17H19N3O3/c1-22-16-3-2-14(20-8-10-23-11-9-20)12-15(16)19-17(21)13-4-6-18-7-5-13/h2-7,12H,8-11H2,1H3,(H,19,21)
InChIKeyPBOBXOFPKSRQQS-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.18
Rot. Bonds4

About N-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide

N-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide (PubChem CID 84508322) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide
PubChem CID84508322
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(N2CCOCC2)cc1NC(=O)c1ccncc1
InChIInChI=1S/C17H19N3O3/c1-22-16-3-2-14(20-8-10-23-11-9-20)12-15(16)19-17(21)13-4-6-18-7-5-13/h2-7,12H,8-11H2,1H3,(H,19,21)
InChIKeyPBOBXOFPKSRQQS-UHFFFAOYSA-N
XLogP2.18
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)pyridine-4-carboxamide
CID 4852404
N-(2-morpholin-4-yl-5-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 110400478
2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide
CID 110359755
2-(2-methoxy-5-morpholin-4-ylanilino)-2-sulfanylideneacetamide
CID 11254914
3,4,5-trimethoxy-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide
CID 110362463
2-ethyl-N-(2-methoxy-5-morpholin-4-ylphenyl)butanamide
CID 110359745
N-(2-methoxy-5-morpholin-4-ylphenyl)pentanamide
CID 110359739
N-(2-fluoro-5-morpholin-4-ylphenyl)-4-methoxybenzamide
CID 110362600
4-methoxy-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400402
3,5-dimethoxy-N-(2-methoxy-5-piperidin-1-ylphenyl)benzamide
CID 110359680
N-(2-chloro-5-morpholin-4-ylphenyl)-2,6-dimethoxybenzamide
CID 110362746
N-[2-methoxy-5-(1,2,4-triazol-4-yl)phenyl]-2-morpholin-4-ylbenzamide
CID 131922121

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide?
The IUPAC name of N-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide (CID 84508322) is N-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide is COc1ccc(N2CCOCC2)cc1NC(=O)c1ccncc1.
What is the InChIKey of N-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide?
The InChIKey is PBOBXOFPKSRQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-22-16-3-2-14(20-8-10-23-11-9-20)12-15(16)19-17(21)13-4-6-18-7-5-13/h2-7,12H,8-11H2,1H3,(H,19,21).
What are the key properties of N-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide?
N-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-morpholin-4-ylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 84508322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).