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

C15H14ClF3N4O — CID 133493496

IUPACN-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-5-(trifluoromethoxy)pyridin-2-amine
SMILESFC(F)(F)Oc1ccc(NC2CCN(c3ncccc3Cl)C2)nc1
InChIInChI=1S/C15H14ClF3N4O/c16-12-2-1-6-20-14(12)23-7-5-10(9-23)22-13-4-3-11(8-21-13)24-15(17,18)19/h1-4,6,8,10H,5,7,9H2,(H,21,22)
InChIKeyINQCWLRSEZGHRO-UHFFFAOYSA-N
MW358.75 g/mol
LogP3.72
Rot. Bonds4

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

N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-5-(trifluoromethoxy)pyridin-2-amine (PubChem CID 133493496) has the molecular formula C15H14ClF3N4O and a molecular weight of 358.75 g/mol. Its IUPAC name is N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-5-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-5-(trifluoromethoxy)pyridin-2-amine
PubChem CID133493496
Molecular FormulaC15H14ClF3N4O
Molecular Weight358.75 g/mol
Exact Mass358.08
IUPAC NameN-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-5-(trifluoromethoxy)pyridin-2-amine
SMILESFC(F)(F)Oc1ccc(NC2CCN(c3ncccc3Cl)C2)nc1
InChIInChI=1S/C15H14ClF3N4O/c16-12-2-1-6-20-14(12)23-7-5-10(9-23)22-13-4-3-11(8-21-13)24-15(17,18)19/h1-4,6,8,10H,5,7,9H2,(H,21,22)
InChIKeyINQCWLRSEZGHRO-UHFFFAOYSA-N
XLogP3.72
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-4-pyridinyl]methanol
CID 154741640
3-tert-butyl-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-1,2,4-thiadiazol-5-amine
CID 133494519
N-piperidin-3-yl-5-(trifluoromethoxy)pyridin-2-amine
CID 114280857
N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-3-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 124888509
1-tert-butyl-4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]pyrrolidin-2-one
CID 133492261
4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]pyridine-2-carboxamide
CID 154794198
furan-2-yl-[4-[[5-(trifluoromethoxy)-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 133489078
methyl 2-chloro-4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]-5-nitrobenzoate
CID 133369032
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyridazin-3-amine
CID 133419854
1-(3-chloro-2-pyridinyl)-N-(cyclopropylmethyl)piperidin-4-amine
CID 113283451
N-[1-(3-chloro-2-pyridinyl)azetidin-3-yl]pyrimidin-2-amine
CID 121184363

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-5-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-5-(trifluoromethoxy)pyridin-2-amine (CID 133493496) is N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-5-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-5-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-5-(trifluoromethoxy)pyridin-2-amine is FC(F)(F)Oc1ccc(NC2CCN(c3ncccc3Cl)C2)nc1.
What is the InChIKey of N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-5-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is INQCWLRSEZGHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4O/c16-12-2-1-6-20-14(12)23-7-5-10(9-23)22-13-4-3-11(8-21-13)24-15(17,18)19/h1-4,6,8,10H,5,7,9H2,(H,21,22).
What are the key properties of N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-5-(trifluoromethoxy)pyridin-2-amine?
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-5-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 358.75 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-5-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 133493496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).