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

C21H29N3O2 — CID 171351710

IUPACN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-propan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESCC(C)c1ccc2cc(C(=O)NC3CCC(C(C)(C)O)CC3)cnc2n1
InChIInChI=1S/C21H29N3O2/c1-13(2)18-10-5-14-11-15(12-22-19(14)24-18)20(25)23-17-8-6-16(7-9-17)21(3,4)26/h5,10-13,16-17,26H,6-9H2,1-4H3,(H,23,25)
InChIKeyLZGVOAILZGHGLD-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.81
Rot. Bonds4

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

N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-propan-2-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 171351710) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-propan-2-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-propan-2-yl-1,8-naphthyridine-3-carboxamide
PubChem CID171351710
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-propan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESCC(C)c1ccc2cc(C(=O)NC3CCC(C(C)(C)O)CC3)cnc2n1
InChIInChI=1S/C21H29N3O2/c1-13(2)18-10-5-14-11-15(12-22-19(14)24-18)20(25)23-17-8-6-16(7-9-17)21(3,4)26/h5,10-13,16-17,26H,6-9H2,1-4H3,(H,23,25)
InChIKeyLZGVOAILZGHGLD-UHFFFAOYSA-N
XLogP3.81
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-propan-2-yl-1,8-naphthyridine-3-carboxamide (CID 171351710) is N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-propan-2-yl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-propan-2-yl-1,8-naphthyridine-3-carboxamide is CC(C)c1ccc2cc(C(=O)NC3CCC(C(C)(C)O)CC3)cnc2n1.
What is the InChIKey of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The InChIKey is LZGVOAILZGHGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-13(2)18-10-5-14-11-15(12-22-19(14)24-18)20(25)23-17-8-6-16(7-9-17)21(3,4)26/h5,10-13,16-17,26H,6-9H2,1-4H3,(H,23,25).
What are the key properties of N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-propan-2-yl-1,8-naphthyridine-3-carboxamide?
N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-propan-2-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxypropan-2-yl)cyclohexyl]-7-propan-2-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 171351710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).