5-[(cyclopropylmethylamino)methyl]-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine

C20H24F3N3 — CID 11304398

IUPAC5-[(cyclopropylmethylamino)methyl]-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCC(C)c1cc(Nc2cccc(C(F)(F)F)c2)ncc1CNCC1CC1
InChIInChI=1S/C20H24F3N3/c1-13(2)18-9-19(25-12-15(18)11-24-10-14-6-7-14)26-17-5-3-4-16(8-17)20(21,22)23/h3-5,8-9,12-14,24H,6-7,10-11H2,1-2H3,(H,25,26)
InChIKeyAIHDBUIOHQYDSO-UHFFFAOYSA-N
MW363.43 g/mol
LogP5.47
Rot. Bonds7

About 5-[(cyclopropylmethylamino)methyl]-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine

5-[(cyclopropylmethylamino)methyl]-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 11304398) has the molecular formula C20H24F3N3 and a molecular weight of 363.43 g/mol. Its IUPAC name is 5-[(cyclopropylmethylamino)methyl]-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylmethylamino)methyl]-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID11304398
Molecular FormulaC20H24F3N3
Molecular Weight363.43 g/mol
Exact Mass363.19
IUPAC Name5-[(cyclopropylmethylamino)methyl]-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCC(C)c1cc(Nc2cccc(C(F)(F)F)c2)ncc1CNCC1CC1
InChIInChI=1S/C20H24F3N3/c1-13(2)18-9-19(25-12-15(18)11-24-10-14-6-7-14)26-17-5-3-4-16(8-17)20(21,22)23/h3-5,8-9,12-14,24H,6-7,10-11H2,1-2H3,(H,25,26)
InChIKeyAIHDBUIOHQYDSO-UHFFFAOYSA-N
XLogP5.47
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.43
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tetrakis(N-(3-chlorophenyl)-5-[(cyclopropylmethylamino)methyl]-4-propan-2-ylpyridin-2-amine);formic acid
CID 11982256
5-[(cyclobutylmethylamino)methyl]-N-[3-(difluoromethyl)-2-fluorophenyl]-4-propan-2-ylpyridin-2-amine
CID 71063416
N-(cyclopentylmethyl)-4-cyclopropyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 11750036
N-(oxan-4-ylmethyl)-4-propan-2-yl-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 58731842
2-N,4-N-bis[3-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 11696916
5-[[cyclopropyl(methyl)amino]methyl]-N-(3,5-difluorophenyl)-4-propan-2-ylpyridin-2-amine
CID 69129248
N-(cyclopropylmethyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 28571844
N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine
CID 171620346
6-[2-methyl-5-(trifluoromethyl)anilino]-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 58731811
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109166817
N-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]acetamide
CID 113034847
2,2-dimethyl-N-[6-[3-(trifluoromethyl)anilino]-3-pyridinyl]propanamide
CID 110178309

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylmethylamino)methyl]-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 5-[(cyclopropylmethylamino)methyl]-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine (CID 11304398) is 5-[(cyclopropylmethylamino)methyl]-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 5-[(cyclopropylmethylamino)methyl]-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 5-[(cyclopropylmethylamino)methyl]-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine is CC(C)c1cc(Nc2cccc(C(F)(F)F)c2)ncc1CNCC1CC1.
What is the InChIKey of 5-[(cyclopropylmethylamino)methyl]-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is AIHDBUIOHQYDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3/c1-13(2)18-9-19(25-12-15(18)11-24-10-14-6-7-14)26-17-5-3-4-16(8-17)20(21,22)23/h3-5,8-9,12-14,24H,6-7,10-11H2,1-2H3,(H,25,26).
What are the key properties of 5-[(cyclopropylmethylamino)methyl]-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine?
5-[(cyclopropylmethylamino)methyl]-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 363.43 g/mol, XLogP of 5.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylmethylamino)methyl]-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 11304398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).