1-fluoro-N-(2-hydroxycyclohexyl)-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide

C24H25FN2O2 — CID 122668773

IUPAC1-fluoro-N-(2-hydroxycyclohexyl)-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide
SMILESCc1ccc(Cc2cc(C(=O)NC3CCCCC3O)c(F)c3ccccc23)cn1
InChIInChI=1S/C24H25FN2O2/c1-15-10-11-16(14-26-15)12-17-13-20(23(25)19-7-3-2-6-18(17)19)24(29)27-21-8-4-5-9-22(21)28/h2-3,6-7,10-11,13-14,21-22,28H,4-5,8-9,12H2,1H3,(H,27,29)
InChIKeyUGZZENFWEFVTRF-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.31
Rot. Bonds4

About 1-fluoro-N-(2-hydroxycyclohexyl)-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide

1-fluoro-N-(2-hydroxycyclohexyl)-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide (PubChem CID 122668773) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 1-fluoro-N-(2-hydroxycyclohexyl)-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-(2-hydroxycyclohexyl)-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide
PubChem CID122668773
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name1-fluoro-N-(2-hydroxycyclohexyl)-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide
SMILESCc1ccc(Cc2cc(C(=O)NC3CCCCC3O)c(F)c3ccccc23)cn1
InChIInChI=1S/C24H25FN2O2/c1-15-10-11-16(14-26-15)12-17-13-20(23(25)19-7-3-2-6-18(17)19)24(29)27-21-8-4-5-9-22(21)28/h2-3,6-7,10-11,13-14,21-22,28H,4-5,8-9,12H2,1H3,(H,27,29)
InChIKeyUGZZENFWEFVTRF-UHFFFAOYSA-N
XLogP4.31
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-(2-hydroxycyclohexyl)-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide?
The IUPAC name of 1-fluoro-N-(2-hydroxycyclohexyl)-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide (CID 122668773) is 1-fluoro-N-(2-hydroxycyclohexyl)-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for 1-fluoro-N-(2-hydroxycyclohexyl)-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for 1-fluoro-N-(2-hydroxycyclohexyl)-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide is Cc1ccc(Cc2cc(C(=O)NC3CCCCC3O)c(F)c3ccccc23)cn1.
What is the InChIKey of 1-fluoro-N-(2-hydroxycyclohexyl)-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide?
The InChIKey is UGZZENFWEFVTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-15-10-11-16(14-26-15)12-17-13-20(23(25)19-7-3-2-6-18(17)19)24(29)27-21-8-4-5-9-22(21)28/h2-3,6-7,10-11,13-14,21-22,28H,4-5,8-9,12H2,1H3,(H,27,29).
What are the key properties of 1-fluoro-N-(2-hydroxycyclohexyl)-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide?
1-fluoro-N-(2-hydroxycyclohexyl)-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide has a molecular weight of 392.47 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-(2-hydroxycyclohexyl)-4-[(6-methyl-3-pyridinyl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 122668773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).