N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide

C23H23N3O4 — CID 172664352

IUPACN-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(-n2ccc(C)c(C(=O)NCc3ccc4c(c3)CCCO4)c2=O)cn1
InChIInChI=1S/C23H23N3O4/c1-15-9-10-26(18-6-8-20(29-2)24-14-18)23(28)21(15)22(27)25-13-16-5-7-19-17(12-16)4-3-11-30-19/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,25,27)
InChIKeyLGQVSNGXAMDNFC-UHFFFAOYSA-N
MW405.45 g/mol
LogP2.80
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide

N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide (PubChem CID 172664352) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide
PubChem CID172664352
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide
SMILESCOc1ccc(-n2ccc(C)c(C(=O)NCc3ccc4c(c3)CCCO4)c2=O)cn1
InChIInChI=1S/C23H23N3O4/c1-15-9-10-26(18-6-8-20(29-2)24-14-18)23(28)21(15)22(27)25-13-16-5-7-19-17(12-16)4-3-11-30-19/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,25,27)
InChIKeyLGQVSNGXAMDNFC-UHFFFAOYSA-N
XLogP2.80
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dihydro-1H-inden-4-yl)-N-[(2-methoxy-4-pyridinyl)methyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 172658005
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-4-(2,4-dioxoimidazolidin-1-yl)benzamide
CID 72922585
1-(6-methoxy-3-pyridinyl)-4-methyl-N-(2-methylpropyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
CID 172662831
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 122563750
1-(difluoromethyl)-N-(3,4-dihydro-2H-chromen-6-ylmethyl)pyrazole-3-carboxamide
CID 91792056
1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxo-N-(2-propan-2-ylsulfanylphenyl)pyridine-3-carboxamide
CID 172669476
N-[6-(4-fluorophenoxy)-3-pyridinyl]-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide
CID 172660881
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 110784239
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-6-ethyl-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 46971082
methyl 2-[1-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-4-methyl-2-oxo-3-pyridinyl]acetate
CID 140516944
8a-ethyl-7-[1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 172672286
3-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-(6-methoxy-3-pyridinyl)-4-methylpyridin-2-one
CID 172670453

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide (CID 172664352) is N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide is COc1ccc(-n2ccc(C)c(C(=O)NCc3ccc4c(c3)CCCO4)c2=O)cn1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is LGQVSNGXAMDNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-15-9-10-26(18-6-8-20(29-2)24-14-18)23(28)21(15)22(27)25-13-16-5-7-19-17(12-16)4-3-11-30-19/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,25,27).
What are the key properties of N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide?
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-(6-methoxy-3-pyridinyl)-4-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172664352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).