N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6-naphthyridine-8-carboxamide

C20H16ClN5O2 — CID 162673340

IUPACN-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6-naphthyridine-8-carboxamide
SMILESCOc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cncc2cccnc12
InChIInChI=1S/C20H16ClN5O2/c1-26-11-16(19(25-26)14-8-13(21)5-6-17(14)28-2)24-20(27)15-10-22-9-12-4-3-7-23-18(12)15/h3-11H,1-2H3,(H,24,27)
InChIKeyCKZVAGSZXQDMER-UHFFFAOYSA-N
MW393.83 g/mol
LogP3.94
Rot. Bonds4

About N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6-naphthyridine-8-carboxamide

N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6-naphthyridine-8-carboxamide (PubChem CID 162673340) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6-naphthyridine-8-carboxamide.

Molecular Properties

Compound NameN-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6-naphthyridine-8-carboxamide
PubChem CID162673340
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC NameN-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6-naphthyridine-8-carboxamide
SMILESCOc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cncc2cccnc12
InChIInChI=1S/C20H16ClN5O2/c1-26-11-16(19(25-26)14-8-13(21)5-6-17(14)28-2)24-20(27)15-10-22-9-12-4-3-7-23-18(12)15/h3-11H,1-2H3,(H,24,27)
InChIKeyCKZVAGSZXQDMER-UHFFFAOYSA-N
XLogP3.94
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6-naphthyridine-8-carboxamide?
The IUPAC name of N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6-naphthyridine-8-carboxamide (CID 162673340) is N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6-naphthyridine-8-carboxamide.
What is the SMILES notation for N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6-naphthyridine-8-carboxamide?
The canonical SMILES for N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6-naphthyridine-8-carboxamide is COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cncc2cccnc12.
What is the InChIKey of N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6-naphthyridine-8-carboxamide?
The InChIKey is CKZVAGSZXQDMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2/c1-26-11-16(19(25-26)14-8-13(21)5-6-17(14)28-2)24-20(27)15-10-22-9-12-4-3-7-23-18(12)15/h3-11H,1-2H3,(H,24,27).
What are the key properties of N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6-naphthyridine-8-carboxamide?
N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6-naphthyridine-8-carboxamide has a molecular weight of 393.83 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6-naphthyridine-8-carboxamide is sourced from PubChem (CID 162673340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).