N-[(3-fluorophenyl)methyl]-6-[[(3S)-pyrrolidin-3-yl]methyl]pyridin-2-amine

C17H20FN3 — CID 95826474

IUPACN-[(3-fluorophenyl)methyl]-6-[[(3S)-pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESFc1cccc(CNc2cccc(C[C@@H]3CCNC3)n2)c1
InChIInChI=1S/C17H20FN3/c18-15-4-1-3-13(9-15)12-20-17-6-2-5-16(21-17)10-14-7-8-19-11-14/h1-6,9,14,19H,7-8,10-12H2,(H,20,21)/t14-/m0/s1
InChIKeyCMQPAMGDGHBHED-AWEZNQCLSA-N
MW285.37 g/mol
LogP2.98
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-6-[[(3S)-pyrrolidin-3-yl]methyl]pyridin-2-amine

N-[(3-fluorophenyl)methyl]-6-[[(3S)-pyrrolidin-3-yl]methyl]pyridin-2-amine (PubChem CID 95826474) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-6-[[(3S)-pyrrolidin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-6-[[(3S)-pyrrolidin-3-yl]methyl]pyridin-2-amine
PubChem CID95826474
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC NameN-[(3-fluorophenyl)methyl]-6-[[(3S)-pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESFc1cccc(CNc2cccc(C[C@@H]3CCNC3)n2)c1
InChIInChI=1S/C17H20FN3/c18-15-4-1-3-13(9-15)12-20-17-6-2-5-16(21-17)10-14-7-8-19-11-14/h1-6,9,14,19H,7-8,10-12H2,(H,20,21)/t14-/m0/s1
InChIKeyCMQPAMGDGHBHED-AWEZNQCLSA-N
XLogP2.98
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(azepan-4-ylmethyl)-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 110257278
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-piperidin-3-ylethyl)pyridin-2-amine
CID 77201397
2-N-ethyl-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
CID 80771478
6-[2-[[(1R,3R)-3-aminocyclopentyl]methyl]-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127344
6-[2-[[(3S,4S)-4-amino-3-methylcyclohexyl]methyl]-5-chloro-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127144
6-[5-chloro-2-[(1-methylpiperidin-4-yl)methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127379
6-[5-chloro-2-[[4-(methoxymethyl)cyclohexyl]methyl]-4-pyridinyl]-N-[(3-fluorophenyl)methyl]pyridin-2-amine
CID 58127331
N-[(3-fluorophenyl)methyl]-2-piperidin-3-ylacetamide
CID 55105179
N-[(3-fluorophenyl)methyl]-2-piperidin-4-ylpyridin-4-amine
CID 95825266
(3R)-3-[(4-fluorophenyl)methyl]pyrrolidine
CID 86309434
4-N-[4-[4-[(3-fluorophenyl)methylamino]pyrimidin-2-yl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 88919446
(5S)-N-[(3-fluorophenyl)methyl]-5-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-amine;hydrochloride
CID 69246410

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-6-[[(3S)-pyrrolidin-3-yl]methyl]pyridin-2-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-6-[[(3S)-pyrrolidin-3-yl]methyl]pyridin-2-amine (CID 95826474) is N-[(3-fluorophenyl)methyl]-6-[[(3S)-pyrrolidin-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-6-[[(3S)-pyrrolidin-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-6-[[(3S)-pyrrolidin-3-yl]methyl]pyridin-2-amine is Fc1cccc(CNc2cccc(C[C@@H]3CCNC3)n2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-6-[[(3S)-pyrrolidin-3-yl]methyl]pyridin-2-amine?
The InChIKey is CMQPAMGDGHBHED-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20FN3/c18-15-4-1-3-13(9-15)12-20-17-6-2-5-16(21-17)10-14-7-8-19-11-14/h1-6,9,14,19H,7-8,10-12H2,(H,20,21)/t14-/m0/s1.
What are the key properties of N-[(3-fluorophenyl)methyl]-6-[[(3S)-pyrrolidin-3-yl]methyl]pyridin-2-amine?
N-[(3-fluorophenyl)methyl]-6-[[(3S)-pyrrolidin-3-yl]methyl]pyridin-2-amine has a molecular weight of 285.37 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-6-[[(3S)-pyrrolidin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 95826474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).