N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine

C16H17F3N4O — CID 86816281

IUPACN-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
SMILESFC(F)(F)Oc1ccc(NCc2ccc(N3CCCC3)nc2)nc1
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)24-13-4-5-14(21-11-13)20-9-12-3-6-15(22-10-12)23-7-1-2-8-23/h3-6,10-11H,1-2,7-9H2,(H,20,21)
InChIKeyBPBXCJKFKWKPKD-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.59
Rot. Bonds5

About N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine

N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine (PubChem CID 86816281) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound NameN-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
PubChem CID86816281
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC NameN-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
SMILESFC(F)(F)Oc1ccc(NCc2ccc(N3CCCC3)nc2)nc1
InChIInChI=1S/C16H17F3N4O/c17-16(18,19)24-13-4-5-14(21-11-13)20-9-12-3-6-15(22-10-12)23-7-1-2-8-23/h3-6,10-11H,1-2,7-9H2,(H,20,21)
InChIKeyBPBXCJKFKWKPKD-UHFFFAOYSA-N
XLogP3.59
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(trifluoromethoxy)-2-pyridinyl]azepane
CID 133487864
N-(6-pyrrolidin-1-yl-3-pyridinyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55746212
6-morpholin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrimidin-4-amine
CID 122282584
1-pyridin-2-yl-4-[5-(trifluoromethoxy)-2-pyridinyl]piperazine
CID 133488140
2-[4-[5-(trifluoromethoxy)-2-pyridinyl]piperazin-1-yl]ethanol
CID 133488124
N-(cyclopropylmethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133489171
1-pyrrolidin-1-yl-2-[4-[5-(trifluoromethoxy)-2-pyridinyl]-1,4-diazepan-1-yl]ethanone
CID 133489362
1-[5-(trifluoromethoxy)-2-pyridinyl]piperidin-3-ol
CID 133488109
2-[6-[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]-3-pyridinyl]acetaldehyde
CID 121404733
N-[(6-methyl-3-pyridinyl)methyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 104739555
1-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969672
5-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]pyridine-2-carbonitrile
CID 133335271

Frequently Asked Questions

What is the IUPAC name of N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine (CID 86816281) is N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine is FC(F)(F)Oc1ccc(NCc2ccc(N3CCCC3)nc2)nc1.
What is the InChIKey of N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is BPBXCJKFKWKPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c17-16(18,19)24-13-4-5-14(21-11-13)20-9-12-3-6-15(22-10-12)23-7-1-2-8-23/h3-6,10-11H,1-2,7-9H2,(H,20,21).
What are the key properties of N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine?
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 338.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 86816281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).