N-(4-methoxyphenyl)-2-morpholin-4-ylpyridine-3-carboxamide

C17H19N3O3 — CID 714032

IUPACN-(4-methoxyphenyl)-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2N2CCOCC2)cc1
InChIInChI=1S/C17H19N3O3/c1-22-14-6-4-13(5-7-14)19-17(21)15-3-2-8-18-16(15)20-9-11-23-12-10-20/h2-8H,9-12H2,1H3,(H,19,21)
InChIKeyQFQRPFMHHBRGHI-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.18
Rot. Bonds4

About N-(4-methoxyphenyl)-2-morpholin-4-ylpyridine-3-carboxamide

N-(4-methoxyphenyl)-2-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 714032) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-morpholin-4-ylpyridine-3-carboxamide
PubChem CID714032
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(4-methoxyphenyl)-2-morpholin-4-ylpyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cccnc2N2CCOCC2)cc1
InChIInChI=1S/C17H19N3O3/c1-22-14-6-4-13(5-7-14)19-17(21)15-3-2-8-18-16(15)20-9-11-23-12-10-20/h2-8H,9-12H2,1H3,(H,19,21)
InChIKeyQFQRPFMHHBRGHI-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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-2-morpholin-4-ylpyridine-3-carboxamide (CID 714032) is N-(4-methoxyphenyl)-2-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-morpholin-4-ylpyridine-3-carboxamide is COc1ccc(NC(=O)c2cccnc2N2CCOCC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is QFQRPFMHHBRGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-22-14-6-4-13(5-7-14)19-17(21)15-3-2-8-18-16(15)20-9-11-23-12-10-20/h2-8H,9-12H2,1H3,(H,19,21).
What are the key properties of N-(4-methoxyphenyl)-2-morpholin-4-ylpyridine-3-carboxamide?
N-(4-methoxyphenyl)-2-morpholin-4-ylpyridine-3-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-(4-methoxyphenyl)-2-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 714032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).