N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide

C21H17N5O2 — CID 78715153

IUPACN-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide
SMILESC=C1C(=O)N=C(n2nc(C)cc2NC(=O)c2cccc3ccccc23)N=C1C
InChIInChI=1S/C21H17N5O2/c1-12-11-18(26(25-12)21-22-14(3)13(2)19(27)24-21)23-20(28)17-10-6-8-15-7-4-5-9-16(15)17/h4-11H,2H2,1,3H3,(H,23,28)
InChIKeyPJBPKXMDTXQLJC-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.36
Rot. Bonds2

About N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide

N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide (PubChem CID 78715153) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide
PubChem CID78715153
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC NameN-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide
SMILESC=C1C(=O)N=C(n2nc(C)cc2NC(=O)c2cccc3ccccc23)N=C1C
InChIInChI=1S/C21H17N5O2/c1-12-11-18(26(25-12)21-22-14(3)13(2)19(27)24-21)23-20(28)17-10-6-8-15-7-4-5-9-16(15)17/h4-11H,2H2,1,3H3,(H,23,28)
InChIKeyPJBPKXMDTXQLJC-UHFFFAOYSA-N
XLogP3.36
TPSA88.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-3-nitrobenzamide
CID 78715121
4-(diethylsulfamoyl)-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]benzamide
CID 73451704
N-[(2-chlorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 73339957
N-[(4-fluorophenyl)methyl]-N'-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 73339958
N-[5-methyl-2-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)pyrazol-3-yl]naphthalene-1-carboxamide
CID 136603925
N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 73451706
N-[2-[1-(2,3-dimethylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]naphthalene-1-carboxamide
CID 136604384
N-[3-cyclopropyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-5-yl]-4-oxochromene-2-carboxamide
CID 74801838
(E)-3-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]prop-2-enamide
CID 167997407
N-[3-cyclopropyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-5-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 74801827
N-(4,6-dimethylpyrimidin-2-yl)naphthalene-1-carboxamide
CID 966576
N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 60591904

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide (CID 78715153) is N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide is C=C1C(=O)N=C(n2nc(C)cc2NC(=O)c2cccc3ccccc23)N=C1C.
What is the InChIKey of N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide?
The InChIKey is PJBPKXMDTXQLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c1-12-11-18(26(25-12)21-22-14(3)13(2)19(27)24-21)23-20(28)17-10-6-8-15-7-4-5-9-16(15)17/h4-11H,2H2,1,3H3,(H,23,28).
What are the key properties of N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide?
N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide has a molecular weight of 371.40 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-3-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 78715153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).