N-[3-[[[2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]carbamate

C17H12F3N6O2- — CID 152762945

IUPACN-[3-[[[2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]carbamate
SMILESO=C([O-])Nc1ncccc1CNc1ccnc(-c2cncc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H13F3N6O2/c18-17(19,20)12-6-11(7-21-9-12)15-23-5-3-13(25-15)24-8-10-2-1-4-22-14(10)26-16(27)28/h1-7,9H,8H2,(H,22,26)(H,27,28)(H,23,24,25)/p-1
InChIKeyVYDGFBOLKFGWNR-UHFFFAOYSA-M
MW389.32 g/mol
LogP2.32
Rot. Bonds5

About N-[3-[[[2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]carbamate

N-[3-[[[2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]carbamate (PubChem CID 152762945) has the molecular formula C17H12F3N6O2- and a molecular weight of 389.32 g/mol. Its IUPAC name is N-[3-[[[2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound NameN-[3-[[[2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]carbamate
PubChem CID152762945
Molecular FormulaC17H12F3N6O2-
Molecular Weight389.32 g/mol
Exact Mass389.10
IUPAC NameN-[3-[[[2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]carbamate
SMILESO=C([O-])Nc1ncccc1CNc1ccnc(-c2cncc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H13F3N6O2/c18-17(19,20)12-6-11(7-21-9-12)15-23-5-3-13(25-15)24-8-10-2-1-4-22-14(10)26-16(27)28/h1-7,9H,8H2,(H,22,26)(H,27,28)(H,23,24,25)/p-1
InChIKeyVYDGFBOLKFGWNR-UHFFFAOYSA-M
XLogP2.32
TPSA115.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[[[2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]carbamate?
The IUPAC name of N-[3-[[[2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]carbamate (CID 152762945) is N-[3-[[[2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]carbamate.
What is the SMILES notation for N-[3-[[[2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]carbamate?
The canonical SMILES for N-[3-[[[2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]carbamate is O=C([O-])Nc1ncccc1CNc1ccnc(-c2cncc(C(F)(F)F)c2)n1.
What is the InChIKey of N-[3-[[[2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]carbamate?
The InChIKey is VYDGFBOLKFGWNR-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H13F3N6O2/c18-17(19,20)12-6-11(7-21-9-12)15-23-5-3-13(25-15)24-8-10-2-1-4-22-14(10)26-16(27)28/h1-7,9H,8H2,(H,22,26)(H,27,28)(H,23,24,25)/p-1.
What are the key properties of N-[3-[[[2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]carbamate?
N-[3-[[[2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]carbamate has a molecular weight of 389.32 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-[5-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]amino]methyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 152762945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).