6-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

C21H21F3N6 — CID 86732001

IUPAC6-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(N3CC[C@H](N)C3)nc2)c1
InChIInChI=1S/C21H21F3N6/c1-13-8-17(14-2-3-20(27-11-14)30-7-5-16(25)12-30)28-19(9-13)29-18-10-15(4-6-26-18)21(22,23)24/h2-4,6,8-11,16H,5,7,12,25H2,1H3,(H,26,28,29)/t16-/m0/s1
InChIKeyLTMIKBKDOCZHPK-INIZCTEOSA-N
MW414.44 g/mol
LogP4.15
Rot. Bonds4

About 6-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine

6-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (PubChem CID 86732001) has the molecular formula C21H21F3N6 and a molecular weight of 414.44 g/mol. Its IUPAC name is 6-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
PubChem CID86732001
Molecular FormulaC21H21F3N6
Molecular Weight414.44 g/mol
Exact Mass414.18
IUPAC Name6-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(N3CC[C@H](N)C3)nc2)c1
InChIInChI=1S/C21H21F3N6/c1-13-8-17(14-2-3-20(27-11-14)30-7-5-16(25)12-30)28-19(9-13)29-18-10-15(4-6-26-18)21(22,23)24/h2-4,6,8-11,16H,5,7,12,25H2,1H3,(H,26,28,29)/t16-/m0/s1
InChIKeyLTMIKBKDOCZHPK-INIZCTEOSA-N
XLogP4.15
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine with MolForge

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Related Compounds

SB-220025
CID 5164
(4R)-4-[(1S)-1-fluoroethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90415637
L-790070
CID 9806182
4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
VK-19911
CID 9797240
SB-242235
CID 9863367
Jnj-38893777
CID 16742146
(4-tert-Butyl-phenyl)-[7-(3-trifluoromethyl-pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]-amine
CID 24782891
2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52949700
(4R)-4-[(1R)-1-fluoroethyl]-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 145954559
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354

Frequently Asked Questions

What is the IUPAC name of 6-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 6-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine (CID 86732001) is 6-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 6-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 6-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(N3CC[C@H](N)C3)nc2)c1.
What is the InChIKey of 6-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
The InChIKey is LTMIKBKDOCZHPK-INIZCTEOSA-N. The full InChI is InChI=1S/C21H21F3N6/c1-13-8-17(14-2-3-20(27-11-14)30-7-5-16(25)12-30)28-19(9-13)29-18-10-15(4-6-26-18)21(22,23)24/h2-4,6,8-11,16H,5,7,12,25H2,1H3,(H,26,28,29)/t16-/m0/s1.
What are the key properties of 6-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine?
6-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine has a molecular weight of 414.44 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 86732001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).