N-[1-[3-(5-cyano-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-methoxycyclopropyl)-5-(trifluoromethyl)benzamide

C24H20F3N5O2 — CID 155166636

IUPACN-[1-[3-(5-cyano-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-methoxycyclopropyl)-5-(trifluoromethyl)benzamide
SMILESCOC1(c2cc(C(=O)NC(C)c3nccnc3-c3ccc(C#N)cn3)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H20F3N5O2/c1-14(20-21(30-8-7-29-20)19-4-3-15(12-28)13-31-19)32-22(33)16-9-17(23(34-2)5-6-23)11-18(10-16)24(25,26)27/h3-4,7-11,13-14H,5-6H2,1-2H3,(H,32,33)
InChIKeyZSBRFWQRFWJSIP-UHFFFAOYSA-N
MW467.45 g/mol
LogP4.56
Rot. Bonds6

About N-[1-[3-(5-cyano-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-methoxycyclopropyl)-5-(trifluoromethyl)benzamide

N-[1-[3-(5-cyano-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-methoxycyclopropyl)-5-(trifluoromethyl)benzamide (PubChem CID 155166636) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is N-[1-[3-(5-cyano-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-methoxycyclopropyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-[3-(5-cyano-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-methoxycyclopropyl)-5-(trifluoromethyl)benzamide
PubChem CID155166636
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC NameN-[1-[3-(5-cyano-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-methoxycyclopropyl)-5-(trifluoromethyl)benzamide
SMILESCOC1(c2cc(C(=O)NC(C)c3nccnc3-c3ccc(C#N)cn3)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C24H20F3N5O2/c1-14(20-21(30-8-7-29-20)19-4-3-15(12-28)13-31-19)32-22(33)16-9-17(23(34-2)5-6-23)11-18(10-16)24(25,26)27/h3-4,7-11,13-14H,5-6H2,1-2H3,(H,32,33)
InChIKeyZSBRFWQRFWJSIP-UHFFFAOYSA-N
XLogP4.56
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(5-cyano-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-methoxycyclopropyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-[3-(5-cyano-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-methoxycyclopropyl)-5-(trifluoromethyl)benzamide (CID 155166636) is N-[1-[3-(5-cyano-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-methoxycyclopropyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-[3-(5-cyano-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-methoxycyclopropyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-[3-(5-cyano-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-methoxycyclopropyl)-5-(trifluoromethyl)benzamide is COC1(c2cc(C(=O)NC(C)c3nccnc3-c3ccc(C#N)cn3)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-[1-[3-(5-cyano-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-methoxycyclopropyl)-5-(trifluoromethyl)benzamide?
The InChIKey is ZSBRFWQRFWJSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c1-14(20-21(30-8-7-29-20)19-4-3-15(12-28)13-31-19)32-22(33)16-9-17(23(34-2)5-6-23)11-18(10-16)24(25,26)27/h3-4,7-11,13-14H,5-6H2,1-2H3,(H,32,33).
What are the key properties of N-[1-[3-(5-cyano-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-methoxycyclopropyl)-5-(trifluoromethyl)benzamide?
N-[1-[3-(5-cyano-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-methoxycyclopropyl)-5-(trifluoromethyl)benzamide has a molecular weight of 467.45 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(5-cyano-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-methoxycyclopropyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 155166636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).