7-cyclobutyl-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide

C22H29N3O2 — CID 142496469

IUPAC7-cyclobutyl-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(O)C1CCC(NC(=O)c2cnc3nc(C4CCC4)ccc3c2)CC1
InChIInChI=1S/C22H29N3O2/c1-22(2,27)17-7-9-18(10-8-17)24-21(26)16-12-15-6-11-19(14-4-3-5-14)25-20(15)23-13-16/h6,11-14,17-18,27H,3-5,7-10H2,1-2H3,(H,24,26)
InChIKeyXQEKUKQGJVFDDA-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.96
Rot. Bonds4

About 7-cyclobutyl-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide

7-cyclobutyl-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide (PubChem CID 142496469) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 7-cyclobutyl-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-cyclobutyl-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide
PubChem CID142496469
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name7-cyclobutyl-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide
SMILESCC(C)(O)C1CCC(NC(=O)c2cnc3nc(C4CCC4)ccc3c2)CC1
InChIInChI=1S/C22H29N3O2/c1-22(2,27)17-7-9-18(10-8-17)24-21(26)16-12-15-6-11-19(14-4-3-5-14)25-20(15)23-13-16/h6,11-14,17-18,27H,3-5,7-10H2,1-2H3,(H,24,26)
InChIKeyXQEKUKQGJVFDDA-UHFFFAOYSA-N
XLogP3.96
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyl-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 7-cyclobutyl-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide (CID 142496469) is 7-cyclobutyl-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-cyclobutyl-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 7-cyclobutyl-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide is CC(C)(O)C1CCC(NC(=O)c2cnc3nc(C4CCC4)ccc3c2)CC1.
What is the InChIKey of 7-cyclobutyl-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide?
The InChIKey is XQEKUKQGJVFDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-22(2,27)17-7-9-18(10-8-17)24-21(26)16-12-15-6-11-19(14-4-3-5-14)25-20(15)23-13-16/h6,11-14,17-18,27H,3-5,7-10H2,1-2H3,(H,24,26).
What are the key properties of 7-cyclobutyl-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide?
7-cyclobutyl-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyl-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 142496469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).