N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide

C21H16F3N5O2 — CID 71010112

IUPACN-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2cnccc2C)cn1
InChIInChI=1S/C21H16F3N5O2/c1-12-7-8-25-11-15(12)19(30)27-13-3-6-18(26-10-13)29-17-5-4-14(31-2)9-16(17)28-20(29)21(22,23)24/h3-11H,1-2H3,(H,27,30)
InChIKeyCHDJQWZERAWQLN-UHFFFAOYSA-N
MW427.39 g/mol
LogP4.40
Rot. Bonds4

About N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide

N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide (PubChem CID 71010112) has the molecular formula C21H16F3N5O2 and a molecular weight of 427.39 g/mol. Its IUPAC name is N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide
PubChem CID71010112
Molecular FormulaC21H16F3N5O2
Molecular Weight427.39 g/mol
Exact Mass427.13
IUPAC NameN-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2cnccc2C)cn1
InChIInChI=1S/C21H16F3N5O2/c1-12-7-8-25-11-15(12)19(30)27-13-3-6-18(26-10-13)29-17-5-4-14(31-2)9-16(17)28-20(29)21(22,23)24/h3-11H,1-2H3,(H,27,30)
InChIKeyCHDJQWZERAWQLN-UHFFFAOYSA-N
XLogP4.40
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide (CID 71010112) is N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1ccc(NC(=O)c2cnccc2C)cn1.
What is the InChIKey of N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide?
The InChIKey is CHDJQWZERAWQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O2/c1-12-7-8-25-11-15(12)19(30)27-13-3-6-18(26-10-13)29-17-5-4-14(31-2)9-16(17)28-20(29)21(22,23)24/h3-11H,1-2H3,(H,27,30).
What are the key properties of N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide?
N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide has a molecular weight of 427.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]-3-pyridinyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).