1-amino-N-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide

C17H16F4N4O — CID 59496228

IUPAC1-amino-N-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCc2ccc(Nc3ccc(F)cc3C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H16F4N4O/c18-10-1-4-14(13(7-10)17(19,20)21)25-12-3-2-11(23-9-12)8-24-15(26)16(22)5-6-16/h1-4,7,9,25H,5-6,8,22H2,(H,24,26)
InChIKeyOGNYWUNSVMPCQM-UHFFFAOYSA-N
MW368.33 g/mol
LogP3.09
Rot. Bonds5

About 1-amino-N-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide

1-amino-N-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide (PubChem CID 59496228) has the molecular formula C17H16F4N4O and a molecular weight of 368.33 g/mol. Its IUPAC name is 1-amino-N-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
PubChem CID59496228
Molecular FormulaC17H16F4N4O
Molecular Weight368.33 g/mol
Exact Mass368.13
IUPAC Name1-amino-N-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCc2ccc(Nc3ccc(F)cc3C(F)(F)F)cn2)CC1
InChIInChI=1S/C17H16F4N4O/c18-10-1-4-14(13(7-10)17(19,20)21)25-12-3-2-11(23-9-12)8-24-15(26)16(22)5-6-16/h1-4,7,9,25H,5-6,8,22H2,(H,24,26)
InChIKeyOGNYWUNSVMPCQM-UHFFFAOYSA-N
XLogP3.09
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]-1-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]cyclopropane-1-carboxamide
CID 159191125
1-[2-(5-chloro-3-pyridinyl)-2-oxoethyl]-N-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 153025765
1-[2-[2-(ethylamino)pyrimidin-5-yl]-2-oxoethyl]-N-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 162213924
(2-methoxypyrimidin-5-yl) N-[1-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methylcarbamoyl]cyclopropyl]carbamate
CID 89497334
[1-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methylcarbamoyl]cyclopropyl]azanide;1H-imidazo[4,5-b]pyridine
CID 158578459
3-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methylcarbamoyl]oxolane-2-carboxylic acid
CID 150434405
1-amino-N-[[5-[4-bromo-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 67542008
1-amino-N-[[3-chloro-5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 59496500
[6-(dimethylamino)pyridazin-4-yl] N-[1-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methylcarbamoyl]cyclopropyl]carbamate
CID 89497198
1-amino-N-[[5-(2-bromo-4-chloroanilino)-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 67541758
1-[2-carbamoyl-2-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methylcarbamoyl]cyclopropyl]pyrrolo[3,2-b]pyridine-6-carboxylic acid
CID 67541914
1-[2-(6-amino-3-pyridinyl)-2-oxoethyl]-N-[[5-[4-bromo-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 158951192

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide (CID 59496228) is 1-amino-N-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide is NC1(C(=O)NCc2ccc(Nc3ccc(F)cc3C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-amino-N-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is OGNYWUNSVMPCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N4O/c18-10-1-4-14(13(7-10)17(19,20)21)25-12-3-2-11(23-9-12)8-24-15(26)16(22)5-6-16/h1-4,7,9,25H,5-6,8,22H2,(H,24,26).
What are the key properties of 1-amino-N-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide?
1-amino-N-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 368.33 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 59496228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).