4-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]pyridin-2-amine

C17H19F2N3 — CID 100699222

IUPAC4-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]pyridin-2-amine
SMILESNc1cc(CN2CC[C@H](Cc3ccc(F)c(F)c3)C2)ccn1
InChIInChI=1S/C17H19F2N3/c18-15-2-1-12(8-16(15)19)7-14-4-6-22(11-14)10-13-3-5-21-17(20)9-13/h1-3,5,8-9,14H,4,6-7,10-11H2,(H2,20,21)/t14-/m1/s1
InChIKeyKPXDBTVTHIKKIT-CQSZACIVSA-N
MW303.36 g/mol
LogP3.01
Rot. Bonds4

About 4-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]pyridin-2-amine

4-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]pyridin-2-amine (PubChem CID 100699222) has the molecular formula C17H19F2N3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]pyridin-2-amine
PubChem CID100699222
Molecular FormulaC17H19F2N3
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name4-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]pyridin-2-amine
SMILESNc1cc(CN2CC[C@H](Cc3ccc(F)c(F)c3)C2)ccn1
InChIInChI=1S/C17H19F2N3/c18-15-2-1-12(8-16(15)19)7-14-4-6-22(11-14)10-13-3-5-21-17(20)9-13/h1-3,5,8-9,14H,4,6-7,10-11H2,(H2,20,21)/t14-/m1/s1
InChIKeyKPXDBTVTHIKKIT-CQSZACIVSA-N
XLogP3.01
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-ethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62465934
2-[1-[(2-amino-4-pyridinyl)methyl]piperidin-3-yl]ethanol
CID 107167021
4-[[3-(diethylamino)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 63165878
5-[[(3R)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]methyl]-1H-indazole
CID 59159138
2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728410
N-[5-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491268
4-[[(3R)-3-(3-fluorophenoxy)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 99839093
N-cyclopropyl-N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 171999634
4-(cycloheptylmethyl)pyridin-2-amine
CID 82923791
[1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 81436670
4-[(3,4-dimethylpiperazin-1-yl)methyl]pyridin-2-amine
CID 63633710
4-[[(3R)-3-pyridin-4-ylpiperidin-1-yl]methyl]pyridin-2-amine
CID 129345169

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]pyridin-2-amine?
The IUPAC name of 4-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]pyridin-2-amine (CID 100699222) is 4-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 4-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]pyridin-2-amine?
The canonical SMILES for 4-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]pyridin-2-amine is Nc1cc(CN2CC[C@H](Cc3ccc(F)c(F)c3)C2)ccn1.
What is the InChIKey of 4-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]pyridin-2-amine?
The InChIKey is KPXDBTVTHIKKIT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19F2N3/c18-15-2-1-12(8-16(15)19)7-14-4-6-22(11-14)10-13-3-5-21-17(20)9-13/h1-3,5,8-9,14H,4,6-7,10-11H2,(H2,20,21)/t14-/m1/s1.
What are the key properties of 4-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]pyridin-2-amine?
4-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]pyridin-2-amine has a molecular weight of 303.36 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 100699222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).