N-(cyclopropylmethyl)-2-methyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide

C20H20F3N7O — CID 135195110

IUPACN-(cyclopropylmethyl)-2-methyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(CC2CC2)C(C)c2ncnn2-c2ncccn2)cc(C(F)(F)F)n1
InChIInChI=1S/C20H20F3N7O/c1-12-8-15(9-16(28-12)20(21,22)23)18(31)29(10-14-4-5-14)13(2)17-26-11-27-30(17)19-24-6-3-7-25-19/h3,6-9,11,13-14H,4-5,10H2,1-2H3
InChIKeyWFZWJCKXOVIIHN-UHFFFAOYSA-N
MW431.42 g/mol
LogP3.39
Rot. Bonds6

About N-(cyclopropylmethyl)-2-methyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide

N-(cyclopropylmethyl)-2-methyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 135195110) has the molecular formula C20H20F3N7O and a molecular weight of 431.42 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-methyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-methyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID135195110
Molecular FormulaC20H20F3N7O
Molecular Weight431.42 g/mol
Exact Mass431.17
IUPAC NameN-(cyclopropylmethyl)-2-methyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(CC2CC2)C(C)c2ncnn2-c2ncccn2)cc(C(F)(F)F)n1
InChIInChI=1S/C20H20F3N7O/c1-12-8-15(9-16(28-12)20(21,22)23)18(31)29(10-14-4-5-14)13(2)17-26-11-27-30(17)19-24-6-3-7-25-19/h3,6-9,11,13-14H,4-5,10H2,1-2H3
InChIKeyWFZWJCKXOVIIHN-UHFFFAOYSA-N
XLogP3.39
TPSA89.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-methyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-methyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide (CID 135195110) is N-(cyclopropylmethyl)-2-methyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-methyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-methyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide is Cc1cc(C(=O)N(CC2CC2)C(C)c2ncnn2-c2ncccn2)cc(C(F)(F)F)n1.
What is the InChIKey of N-(cyclopropylmethyl)-2-methyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is WFZWJCKXOVIIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N7O/c1-12-8-15(9-16(28-12)20(21,22)23)18(31)29(10-14-4-5-14)13(2)17-26-11-27-30(17)19-24-6-3-7-25-19/h3,6-9,11,13-14H,4-5,10H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-2-methyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide?
N-(cyclopropylmethyl)-2-methyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 431.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-methyl-N-[1-(2-pyrimidin-2-yl-1,2,4-triazol-3-yl)ethyl]-6-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 135195110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).