N-[2-(1-hydroxycyclohexyl)-1,7-naphthyridin-6-yl]cyclopropanecarboxamide

C18H21N3O2 — CID 71115033

IUPACN-[2-(1-hydroxycyclohexyl)-1,7-naphthyridin-6-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2ccc(C3(O)CCCCC3)nc2cn1)C1CC1
InChIInChI=1S/C18H21N3O2/c22-17(12-4-5-12)21-16-10-13-6-7-15(20-14(13)11-19-16)18(23)8-2-1-3-9-18/h6-7,10-12,23H,1-5,8-9H2,(H,19,21,22)
InChIKeyOXMXTRVMKFKNHZ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.13
Rot. Bonds3

About N-[2-(1-hydroxycyclohexyl)-1,7-naphthyridin-6-yl]cyclopropanecarboxamide

N-[2-(1-hydroxycyclohexyl)-1,7-naphthyridin-6-yl]cyclopropanecarboxamide (PubChem CID 71115033) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[2-(1-hydroxycyclohexyl)-1,7-naphthyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(1-hydroxycyclohexyl)-1,7-naphthyridin-6-yl]cyclopropanecarboxamide
PubChem CID71115033
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[2-(1-hydroxycyclohexyl)-1,7-naphthyridin-6-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2ccc(C3(O)CCCCC3)nc2cn1)C1CC1
InChIInChI=1S/C18H21N3O2/c22-17(12-4-5-12)21-16-10-13-6-7-15(20-14(13)11-19-16)18(23)8-2-1-3-9-18/h6-7,10-12,23H,1-5,8-9H2,(H,19,21,22)
InChIKeyOXMXTRVMKFKNHZ-UHFFFAOYSA-N
XLogP3.13
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxycyclohexyl)-1,7-naphthyridin-6-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(1-hydroxycyclohexyl)-1,7-naphthyridin-6-yl]cyclopropanecarboxamide (CID 71115033) is N-[2-(1-hydroxycyclohexyl)-1,7-naphthyridin-6-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(1-hydroxycyclohexyl)-1,7-naphthyridin-6-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(1-hydroxycyclohexyl)-1,7-naphthyridin-6-yl]cyclopropanecarboxamide is O=C(Nc1cc2ccc(C3(O)CCCCC3)nc2cn1)C1CC1.
What is the InChIKey of N-[2-(1-hydroxycyclohexyl)-1,7-naphthyridin-6-yl]cyclopropanecarboxamide?
The InChIKey is OXMXTRVMKFKNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-17(12-4-5-12)21-16-10-13-6-7-15(20-14(13)11-19-16)18(23)8-2-1-3-9-18/h6-7,10-12,23H,1-5,8-9H2,(H,19,21,22).
What are the key properties of N-[2-(1-hydroxycyclohexyl)-1,7-naphthyridin-6-yl]cyclopropanecarboxamide?
N-[2-(1-hydroxycyclohexyl)-1,7-naphthyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 311.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxycyclohexyl)-1,7-naphthyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71115033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).