N-(4,6-dimethylpyrimidin-2-yl)-3-methoxynaphthalene-2-carboxamide

C18H17N3O2 — CID 802722

IUPACN-(4,6-dimethylpyrimidin-2-yl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C18H17N3O2/c1-11-8-12(2)20-18(19-11)21-17(22)15-9-13-6-4-5-7-14(13)10-16(15)23-3/h4-10H,1-3H3,(H,19,20,21,22)
InChIKeyNHOQIGPVXRFSTC-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.51
Rot. Bonds3

About N-(4,6-dimethylpyrimidin-2-yl)-3-methoxynaphthalene-2-carboxamide

N-(4,6-dimethylpyrimidin-2-yl)-3-methoxynaphthalene-2-carboxamide (PubChem CID 802722) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-3-methoxynaphthalene-2-carboxamide
PubChem CID802722
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C18H17N3O2/c1-11-8-12(2)20-18(19-11)21-17(22)15-9-13-6-4-5-7-14(13)10-16(15)23-3/h4-10H,1-3H3,(H,19,20,21,22)
InChIKeyNHOQIGPVXRFSTC-UHFFFAOYSA-N
XLogP3.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(4-methyl-1,3-thiazol-2-yl)naphthalene-2-carboxamide
CID 2551174
3-methoxy-N-[5-[(3-methoxynaphthalene-2-carbonyl)amino]naphthalen-1-yl]naphthalene-2-carboxamide
CID 5082580
N-(4,6-dimethylpyrimidin-2-yl)naphthalene-1-carboxamide
CID 966576
N-(3-fluorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 802408
dimethyl 5-[(3-methoxynaphthalene-2-carbonyl)amino]benzene-1,3-dicarboxylate
CID 1378947
N-(4-fluoro-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 7924533
3-methoxy-N-quinolin-8-ylnaphthalene-2-carboxamide
CID 952605
N-(2-ethyl-6-methylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 801526
3-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]naphthalene-2-carboxamide
CID 28633409
N-[4-[(2R)-butan-2-yl]phenyl]-3-methoxynaphthalene-2-carboxamide
CID 7935730
CID 101146176
CID 101146176
3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide
CID 133250038

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-3-methoxynaphthalene-2-carboxamide (CID 802722) is N-(4,6-dimethylpyrimidin-2-yl)-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)Nc1nc(C)cc(C)n1.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-3-methoxynaphthalene-2-carboxamide?
The InChIKey is NHOQIGPVXRFSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-8-12(2)20-18(19-11)21-17(22)15-9-13-6-4-5-7-14(13)10-16(15)23-3/h4-10H,1-3H3,(H,19,20,21,22).
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-3-methoxynaphthalene-2-carboxamide?
N-(4,6-dimethylpyrimidin-2-yl)-3-methoxynaphthalene-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 802722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).