1-amino-N-[[5-[4-bromo-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]methyl]cyclopropane-1-carboxamide

C17H15BrF4N4O — CID 67542008

IUPAC1-amino-N-[[5-[4-bromo-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]methyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCc2ncc(Nc3ccc(Br)cc3C(F)(F)F)cc2F)CC1
InChIInChI=1S/C17H15BrF4N4O/c18-9-1-2-13(11(5-9)17(20,21)22)26-10-6-12(19)14(24-7-10)8-25-15(27)16(23)3-4-16/h1-2,5-7,26H,3-4,8,23H2,(H,25,27)
InChIKeyGEHBIBJPTGUOAP-UHFFFAOYSA-N
MW447.23 g/mol
LogP3.85
Rot. Bonds5

About 1-amino-N-[[5-[4-bromo-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]methyl]cyclopropane-1-carboxamide

1-amino-N-[[5-[4-bromo-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]methyl]cyclopropane-1-carboxamide (PubChem CID 67542008) has the molecular formula C17H15BrF4N4O and a molecular weight of 447.23 g/mol. Its IUPAC name is 1-amino-N-[[5-[4-bromo-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[[5-[4-bromo-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]methyl]cyclopropane-1-carboxamide
PubChem CID67542008
Molecular FormulaC17H15BrF4N4O
Molecular Weight447.23 g/mol
Exact Mass446.04
IUPAC Name1-amino-N-[[5-[4-bromo-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]methyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCc2ncc(Nc3ccc(Br)cc3C(F)(F)F)cc2F)CC1
InChIInChI=1S/C17H15BrF4N4O/c18-9-1-2-13(11(5-9)17(20,21)22)26-10-6-12(19)14(24-7-10)8-25-15(27)16(23)3-4-16/h1-2,5-7,26H,3-4,8,23H2,(H,25,27)
InChIKeyGEHBIBJPTGUOAP-UHFFFAOYSA-N
XLogP3.85
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.23
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-amino-N-[[5-[4-bromo-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

1-amino-N-[[3-chloro-5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 59496500
1-amino-N-[[5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 59496228
cyclopropane;[3-fluoro-5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methylcarbamic acid
CID 66616946
[3-fluoro-5-[4-methoxy-2-(trifluoromethyl)anilino]-2-pyridinyl]methylcarbamic acid
CID 141320643
1-[2-(6-amino-3-pyridinyl)-2-oxoethyl]-N-[[5-[4-bromo-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 158951192
6-amino-N-[(3S)-3-[[5-[4-chloro-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]methylcarbamoyl]oxolan-3-yl]pyridine-3-carboxamide
CID 59496158
3-N-[[3-fluoro-5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]oxolane-2,3-dicarboxamide;dihydrochloride
CID 87438814
1-[[(E)-3-amino-2-(prop-1-en-2-yliminomethyl)prop-2-enoyl]amino]-N-[[3-fluoro-5-[4-fluoro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 89025507
(3S)-N-[[3-fluoro-5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]-3-[2-(2-methylpyrimidin-5-yl)-2-oxoethyl]oxolane-3-carboxamide
CID 146946621
N-[(3S)-3-[[5-[4-chloro-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]methylcarbamoyl]oxolan-3-yl]-6-methylpyridine-3-carboxamide
CID 59496509
N-[1-[[5-[4-bromo-2-(trifluoromethyl)anilino]-2-pyridinyl]methylcarbamoyl]cyclopropyl]-2-(dimethylamino)pyrimidine-5-carboxamide
CID 59496517
(3S)-3-[2-(5-amino-3-pyridinyl)-2-oxoethyl]-N-[[3-fluoro-5-[4-methoxy-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]oxolane-3-carboxamide
CID 159688566

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[5-[4-bromo-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[[5-[4-bromo-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]methyl]cyclopropane-1-carboxamide (CID 67542008) is 1-amino-N-[[5-[4-bromo-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[[5-[4-bromo-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[[5-[4-bromo-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]methyl]cyclopropane-1-carboxamide is NC1(C(=O)NCc2ncc(Nc3ccc(Br)cc3C(F)(F)F)cc2F)CC1.
What is the InChIKey of 1-amino-N-[[5-[4-bromo-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is GEHBIBJPTGUOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF4N4O/c18-9-1-2-13(11(5-9)17(20,21)22)26-10-6-12(19)14(24-7-10)8-25-15(27)16(23)3-4-16/h1-2,5-7,26H,3-4,8,23H2,(H,25,27).
What are the key properties of 1-amino-N-[[5-[4-bromo-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]methyl]cyclopropane-1-carboxamide?
1-amino-N-[[5-[4-bromo-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 447.23 g/mol, XLogP of 3.85, 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-bromo-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 67542008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).