N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-8-methoxy-2-oxochromene-3-carboxamide

C19H20N4O4 — CID 122353954

IUPACN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3cc(C)nc(N(C)C)n3)c(=O)oc12
InChIInChI=1S/C19H20N4O4/c1-11-8-13(22-19(21-11)23(2)3)10-20-17(24)14-9-12-6-5-7-15(26-4)16(12)27-18(14)25/h5-9H,10H2,1-4H3,(H,20,24)
InChIKeyPKTRWMOZCPNEJD-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.90
Rot. Bonds5

About N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-8-methoxy-2-oxochromene-3-carboxamide

N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-8-methoxy-2-oxochromene-3-carboxamide (PubChem CID 122353954) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-8-methoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-8-methoxy-2-oxochromene-3-carboxamide
PubChem CID122353954
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-8-methoxy-2-oxochromene-3-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3cc(C)nc(N(C)C)n3)c(=O)oc12
InChIInChI=1S/C19H20N4O4/c1-11-8-13(22-19(21-11)23(2)3)10-20-17(24)14-9-12-6-5-7-15(26-4)16(12)27-18(14)25/h5-9H,10H2,1-4H3,(H,20,24)
InChIKeyPKTRWMOZCPNEJD-UHFFFAOYSA-N
XLogP1.90
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 90551984
N-[2-[4-(dimethylamino)phenyl]-2-hydroxyethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 90581507
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 91967581
8-methoxy-2-oxo-N-[(5-thiophen-2-ylfuran-2-yl)methyl]chromene-3-carboxamide
CID 122264327
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 39966511
N,N-diethyl-8-methoxy-2-oxochromene-3-carboxamide
CID 807442
N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 26795926
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
N-(4,5-dihydro-1,3-thiazol-2-yl)-8-methoxy-2-oxochromene-3-carboxamide
CID 4875619
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 91967591
N-(2-hydroxy-2-naphthalen-1-ylethyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 90497338
N-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 71781600

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-8-methoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-8-methoxy-2-oxochromene-3-carboxamide (CID 122353954) is N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-8-methoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-8-methoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-8-methoxy-2-oxochromene-3-carboxamide is COc1cccc2cc(C(=O)NCc3cc(C)nc(N(C)C)n3)c(=O)oc12.
What is the InChIKey of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-8-methoxy-2-oxochromene-3-carboxamide?
The InChIKey is PKTRWMOZCPNEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-11-8-13(22-19(21-11)23(2)3)10-20-17(24)14-9-12-6-5-7-15(26-4)16(12)27-18(14)25/h5-9H,10H2,1-4H3,(H,20,24).
What are the key properties of N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-8-methoxy-2-oxochromene-3-carboxamide?
N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-8-methoxy-2-oxochromene-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]-8-methoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 122353954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).