7-(azetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide

C21H28N4O2 — CID 137363278

IUPAC7-(azetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide
SMILESCC(C)(O)C1CCC(NC(=O)c2cnc3cc(N4CCC4)ncc3c2)CC1
InChIInChI=1S/C21H28N4O2/c1-21(2,27)16-4-6-17(7-5-16)24-20(26)15-10-14-12-23-19(25-8-3-9-25)11-18(14)22-13-15/h10-13,16-17,27H,3-9H2,1-2H3,(H,24,26)
InChIKeyYBOJDFGHCNHNOW-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.90
Rot. Bonds4

About 7-(azetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide

7-(azetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide (PubChem CID 137363278) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 7-(azetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-(azetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide
PubChem CID137363278
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name7-(azetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide
SMILESCC(C)(O)C1CCC(NC(=O)c2cnc3cc(N4CCC4)ncc3c2)CC1
InChIInChI=1S/C21H28N4O2/c1-21(2,27)16-4-6-17(7-5-16)24-20(26)15-10-14-12-23-19(25-8-3-9-25)11-18(14)22-13-15/h10-13,16-17,27H,3-9H2,1-2H3,(H,24,26)
InChIKeyYBOJDFGHCNHNOW-UHFFFAOYSA-N
XLogP2.90
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(azetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 7-(azetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide (CID 137363278) is 7-(azetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-(azetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 7-(azetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide is CC(C)(O)C1CCC(NC(=O)c2cnc3cc(N4CCC4)ncc3c2)CC1.
What is the InChIKey of 7-(azetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide?
The InChIKey is YBOJDFGHCNHNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-21(2,27)16-4-6-17(7-5-16)24-20(26)15-10-14-12-23-19(25-8-3-9-25)11-18(14)22-13-15/h10-13,16-17,27H,3-9H2,1-2H3,(H,24,26).
What are the key properties of 7-(azetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide?
7-(azetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azetidin-1-yl)-N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 137363278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).