phenyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate

C20H17F3N4O2 — CID 110186262

IUPACphenyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate
SMILESNc1nc(NCc2ccc(C(F)(F)F)cc2)ccc1NC(=O)Oc1ccccc1
InChIInChI=1S/C20H17F3N4O2/c21-20(22,23)14-8-6-13(7-9-14)12-25-17-11-10-16(18(24)27-17)26-19(28)29-15-4-2-1-3-5-15/h1-11H,12H2,(H,26,28)(H3,24,25,27)
InChIKeyPCBLXIUFECEBEY-UHFFFAOYSA-N
MW402.38 g/mol
LogP4.91
Rot. Bonds5

About phenyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate

phenyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate (PubChem CID 110186262) has the molecular formula C20H17F3N4O2 and a molecular weight of 402.38 g/mol. Its IUPAC name is phenyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate
PubChem CID110186262
Molecular FormulaC20H17F3N4O2
Molecular Weight402.38 g/mol
Exact Mass402.13
IUPAC Namephenyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate
SMILESNc1nc(NCc2ccc(C(F)(F)F)cc2)ccc1NC(=O)Oc1ccccc1
InChIInChI=1S/C20H17F3N4O2/c21-20(22,23)14-8-6-13(7-9-14)12-25-17-11-10-16(18(24)27-17)26-19(28)29-15-4-2-1-3-5-15/h1-11H,12H2,(H,26,28)(H3,24,25,27)
InChIKeyPCBLXIUFECEBEY-UHFFFAOYSA-N
XLogP4.91
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

phenyl N-[2-amino-6-[(4-sulfamoylphenyl)methylamino]-3-pyridinyl]carbamate
CID 110187356
6-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-2,3,6-triamine
CID 11778514
3-bromopropyl N-[2-amino-6-(benzylamino)-3-pyridinyl]carbamate
CID 110187378
[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]urea
CID 67981379
ethane;ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 153394509
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;2-hydroxybenzoic acid
CID 66706287
2-chloroethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;hydrochloride
CID 45261412
cyclohexyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate
CID 110186504
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;methanesulfonate
CID 131740296
ethyl N-[2-amino-6-[(4-thiophen-2-ylphenyl)methylamino]-3-pyridinyl]carbamate
CID 137420884
ethyl N-[2-amino-6-[(4-fluorophenyl)methylamino]-3-pyridinyl]carbamate;thiocyanic acid
CID 87118898
ethyl N-[2-amino-4-[[4-(trifluoromethyl)phenyl]methylamino]phenyl]carbamate
CID 10269475

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate?
The IUPAC name of phenyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate (CID 110186262) is phenyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate.
What is the SMILES notation for phenyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate?
The canonical SMILES for phenyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate is Nc1nc(NCc2ccc(C(F)(F)F)cc2)ccc1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate?
The InChIKey is PCBLXIUFECEBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2/c21-20(22,23)14-8-6-13(7-9-14)12-25-17-11-10-16(18(24)27-17)26-19(28)29-15-4-2-1-3-5-15/h1-11H,12H2,(H,26,28)(H3,24,25,27).
What are the key properties of phenyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate?
phenyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate has a molecular weight of 402.38 g/mol, XLogP of 4.91, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-amino-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]carbamate is sourced from PubChem (CID 110186262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).