N-[1-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C19H24F3N5O2 — CID 138673165

IUPACN-[1-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCc1cc(C(C)NC(=O)c2ccc(OCC(F)(F)F)cn2)nc(NCC(C)C)n1
InChIInChI=1S/C19H24F3N5O2/c1-11(2)8-24-18-25-12(3)7-16(27-18)13(4)26-17(28)15-6-5-14(9-23-15)29-10-19(20,21)22/h5-7,9,11,13H,8,10H2,1-4H3,(H,26,28)(H,24,25,27)
InChIKeyBAIBDNVAGMVGTG-UHFFFAOYSA-N
MW411.43 g/mol
LogP3.68
Rot. Bonds8

About N-[1-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

N-[1-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 138673165) has the molecular formula C19H24F3N5O2 and a molecular weight of 411.43 g/mol. Its IUPAC name is N-[1-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID138673165
Molecular FormulaC19H24F3N5O2
Molecular Weight411.43 g/mol
Exact Mass411.19
IUPAC NameN-[1-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCc1cc(C(C)NC(=O)c2ccc(OCC(F)(F)F)cn2)nc(NCC(C)C)n1
InChIInChI=1S/C19H24F3N5O2/c1-11(2)8-24-18-25-12(3)7-16(27-18)13(4)26-17(28)15-6-5-14(9-23-15)29-10-19(20,21)22/h5-7,9,11,13H,8,10H2,1-4H3,(H,26,28)(H,24,25,27)
InChIKeyBAIBDNVAGMVGTG-UHFFFAOYSA-N
XLogP3.68
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[1-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 138673165) is N-[1-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[1-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is Cc1cc(C(C)NC(=O)c2ccc(OCC(F)(F)F)cn2)nc(NCC(C)C)n1.
What is the InChIKey of N-[1-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is BAIBDNVAGMVGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O2/c1-11(2)8-24-18-25-12(3)7-16(27-18)13(4)26-17(28)15-6-5-14(9-23-15)29-10-19(20,21)22/h5-7,9,11,13H,8,10H2,1-4H3,(H,26,28)(H,24,25,27).
What are the key properties of N-[1-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
N-[1-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 411.43 g/mol, XLogP of 3.68, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-methyl-2-(2-methylpropylamino)pyrimidin-4-yl]ethyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 138673165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).