N-[(6-tert-butyl-2-methoxy-3-pyridinyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide

C21H24N4O2 — CID 66633706

IUPACN-[(6-tert-butyl-2-methoxy-3-pyridinyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
SMILESCOc1nc(C(C)(C)C)ccc1CNC(=O)c1cc2cccnc2nc1C
InChIInChI=1S/C21H24N4O2/c1-13-16(11-14-7-6-10-22-18(14)24-13)19(26)23-12-15-8-9-17(21(2,3)4)25-20(15)27-5/h6-11H,12H2,1-5H3,(H,23,26)
InChIKeyMKKUGAWKSSSFRW-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.57
Rot. Bonds4

About N-[(6-tert-butyl-2-methoxy-3-pyridinyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide

N-[(6-tert-butyl-2-methoxy-3-pyridinyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide (PubChem CID 66633706) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(6-tert-butyl-2-methoxy-3-pyridinyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-tert-butyl-2-methoxy-3-pyridinyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
PubChem CID66633706
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[(6-tert-butyl-2-methoxy-3-pyridinyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide
SMILESCOc1nc(C(C)(C)C)ccc1CNC(=O)c1cc2cccnc2nc1C
InChIInChI=1S/C21H24N4O2/c1-13-16(11-14-7-6-10-22-18(14)24-13)19(26)23-12-15-8-9-17(21(2,3)4)25-20(15)27-5/h6-11H,12H2,1-5H3,(H,23,26)
InChIKeyMKKUGAWKSSSFRW-UHFFFAOYSA-N
XLogP3.57
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(6-tert-butyl-2-methoxy-3-pyridinyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(6-tert-butyl-2-methoxy-3-pyridinyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide (CID 66633706) is N-[(6-tert-butyl-2-methoxy-3-pyridinyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(6-tert-butyl-2-methoxy-3-pyridinyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(6-tert-butyl-2-methoxy-3-pyridinyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide is COc1nc(C(C)(C)C)ccc1CNC(=O)c1cc2cccnc2nc1C.
What is the InChIKey of N-[(6-tert-butyl-2-methoxy-3-pyridinyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
The InChIKey is MKKUGAWKSSSFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13-16(11-14-7-6-10-22-18(14)24-13)19(26)23-12-15-8-9-17(21(2,3)4)25-20(15)27-5/h6-11H,12H2,1-5H3,(H,23,26).
What are the key properties of N-[(6-tert-butyl-2-methoxy-3-pyridinyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide?
N-[(6-tert-butyl-2-methoxy-3-pyridinyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-tert-butyl-2-methoxy-3-pyridinyl)methyl]-2-methyl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 66633706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).