N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-oxochromene-2-carboxamide

C19H18N4O4 — CID 122353411

IUPACN-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCc1ccnc(N2CCOCC2)n1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H18N4O4/c24-15-11-17(27-16-4-2-1-3-14(15)16)18(25)21-12-13-5-6-20-19(22-13)23-7-9-26-10-8-23/h1-6,11H,7-10,12H2,(H,21,25)
InChIKeyZKFPSBQJTZQMFD-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.35
Rot. Bonds4

About N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-oxochromene-2-carboxamide

N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-oxochromene-2-carboxamide (PubChem CID 122353411) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-oxochromene-2-carboxamide
PubChem CID122353411
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC NameN-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-oxochromene-2-carboxamide
SMILESO=C(NCc1ccnc(N2CCOCC2)n1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H18N4O4/c24-15-11-17(27-16-4-2-1-3-14(15)16)18(25)21-12-13-5-6-20-19(22-13)23-7-9-26-10-8-23/h1-6,11H,7-10,12H2,(H,21,25)
InChIKeyZKFPSBQJTZQMFD-UHFFFAOYSA-N
XLogP1.35
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-oxochromene-2-carboxamide
CID 122318781
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]naphthalene-1-carboxamide
CID 91967362
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122353371
2,6-difluoro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967358
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]-4-oxochromene-2-carboxamide
CID 122295157
4-bromo-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 122353608
2,4-dichloro-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 91967359
2-ethyl-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]butanamide
CID 122353332
4-oxo-N-[(1-pyridin-4-yltriazol-4-yl)methyl]chromene-2-carboxamide
CID 121195822
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 122353494
N-[(6-hydroxyimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxochromene-2-carboxamide
CID 170391703
N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]furan-2-carboxamide
CID 122353040

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-oxochromene-2-carboxamide (CID 122353411) is N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-oxochromene-2-carboxamide is O=C(NCc1ccnc(N2CCOCC2)n1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-oxochromene-2-carboxamide?
The InChIKey is ZKFPSBQJTZQMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c24-15-11-17(27-16-4-2-1-3-14(15)16)18(25)21-12-13-5-6-20-19(22-13)23-7-9-26-10-8-23/h1-6,11H,7-10,12H2,(H,21,25).
What are the key properties of N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-oxochromene-2-carboxamide?
N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-oxochromene-2-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 122353411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).