N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide

C20H17N5O — CID 118660644

IUPACN-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESCNC(=O)c1ccc2cncc(-c3ccc(-c4cnn(C)c4)cc3)c2n1
InChIInChI=1S/C20H17N5O/c1-21-20(26)18-8-7-15-9-22-11-17(19(15)24-18)14-5-3-13(4-6-14)16-10-23-25(2)12-16/h3-12H,1-2H3,(H,21,26)
InChIKeyRUNGUDNTFGOPRL-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.06
Rot. Bonds3

About N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide

N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 118660644) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
PubChem CID118660644
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC NameN-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
SMILESCNC(=O)c1ccc2cncc(-c3ccc(-c4cnn(C)c4)cc3)c2n1
InChIInChI=1S/C20H17N5O/c1-21-20(26)18-8-7-15-9-22-11-17(19(15)24-18)14-5-3-13(4-6-14)16-10-23-25(2)12-16/h3-12H,1-2H3,(H,21,26)
InChIKeyRUNGUDNTFGOPRL-UHFFFAOYSA-N
XLogP3.06
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide (CID 118660644) is N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide is CNC(=O)c1ccc2cncc(-c3ccc(-c4cnn(C)c4)cc3)c2n1.
What is the InChIKey of N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is RUNGUDNTFGOPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-21-20(26)18-8-7-15-9-22-11-17(19(15)24-18)14-5-3-13(4-6-14)16-10-23-25(2)12-16/h3-12H,1-2H3,(H,21,26).
What are the key properties of N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide?
N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 343.39 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 118660644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).