6-(5-tert-butyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C18H22N4O — CID 123837949

IUPAC6-(5-tert-butyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(C)(C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C18H22N4O/c1-18(2,3)15-8-14(9-20-11-15)13-7-12-5-4-6-22(17(19)23)16(12)21-10-13/h7-11H,4-6H2,1-3H3,(H2,19,23)
InChIKeyKOJPBXFEGIPRLB-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.27
Rot. Bonds1

About 6-(5-tert-butyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-(5-tert-butyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 123837949) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 6-(5-tert-butyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-(5-tert-butyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID123837949
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name6-(5-tert-butyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCC(C)(C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C18H22N4O/c1-18(2,3)15-8-14(9-20-11-15)13-7-12-5-4-6-22(17(19)23)16(12)21-10-13/h7-11H,4-6H2,1-3H3,(H2,19,23)
InChIKeyKOJPBXFEGIPRLB-UHFFFAOYSA-N
XLogP3.27
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-tert-butyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-(5-tert-butyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 123837949) is 6-(5-tert-butyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-(5-tert-butyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-(5-tert-butyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC(C)(C)c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.
What is the InChIKey of 6-(5-tert-butyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is KOJPBXFEGIPRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-18(2,3)15-8-14(9-20-11-15)13-7-12-5-4-6-22(17(19)23)16(12)21-10-13/h7-11H,4-6H2,1-3H3,(H2,19,23).
What are the key properties of 6-(5-tert-butyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-(5-tert-butyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-tert-butyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 123837949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).