N-(cyclohexylmethyl)-4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide

C27H34F3N3O — CID 44546811

IUPACN-(cyclohexylmethyl)-4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCC1CCCCC1)c1ccc(-c2ccc(NCC3CCCCC3)nc2)c(C(F)(F)F)c1
InChIInChI=1S/C27H34F3N3O/c28-27(29,30)24-15-21(26(34)33-17-20-9-5-2-6-10-20)11-13-23(24)22-12-14-25(32-18-22)31-16-19-7-3-1-4-8-19/h11-15,18-20H,1-10,16-17H2,(H,31,32)(H,33,34)
InChIKeyYWXKWYBNMVRRTA-UHFFFAOYSA-N
MW473.58 g/mol
LogP7.07
Rot. Bonds7

About N-(cyclohexylmethyl)-4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-(cyclohexylmethyl)-4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 44546811) has the molecular formula C27H34F3N3O and a molecular weight of 473.58 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID44546811
Molecular FormulaC27H34F3N3O
Molecular Weight473.58 g/mol
Exact Mass473.27
IUPAC NameN-(cyclohexylmethyl)-4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCC1CCCCC1)c1ccc(-c2ccc(NCC3CCCCC3)nc2)c(C(F)(F)F)c1
InChIInChI=1S/C27H34F3N3O/c28-27(29,30)24-15-21(26(34)33-17-20-9-5-2-6-10-20)11-13-23(24)22-12-14-25(32-18-22)31-16-19-7-3-1-4-8-19/h11-15,18-20H,1-10,16-17H2,(H,31,32)(H,33,34)
InChIKeyYWXKWYBNMVRRTA-UHFFFAOYSA-N
XLogP7.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 57.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(cyclohexylmethyl)-4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 44546811) is N-(cyclohexylmethyl)-4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(cyclohexylmethyl)-4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide is O=C(NCC1CCCCC1)c1ccc(-c2ccc(NCC3CCCCC3)nc2)c(C(F)(F)F)c1.
What is the InChIKey of N-(cyclohexylmethyl)-4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is YWXKWYBNMVRRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34F3N3O/c28-27(29,30)24-15-21(26(34)33-17-20-9-5-2-6-10-20)11-13-23(24)22-12-14-25(32-18-22)31-16-19-7-3-1-4-8-19/h11-15,18-20H,1-10,16-17H2,(H,31,32)(H,33,34).
What are the key properties of N-(cyclohexylmethyl)-4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-(cyclohexylmethyl)-4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 473.58 g/mol, XLogP of 7.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-4-[6-(cyclohexylmethylamino)-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 44546811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).