N-benzyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine

C17H22N4 — CID 44547719

IUPACN-benzyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
SMILESCN[C@H]1CCN(c2ccnc(NCc3ccccc3)c2)C1
InChIInChI=1S/C17H22N4/c1-18-15-8-10-21(13-15)16-7-9-19-17(11-16)20-12-14-5-3-2-4-6-14/h2-7,9,11,15,18H,8,10,12-13H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyFAQTUDDRRFDJAH-HNNXBMFYSA-N
MW282.39 g/mol
LogP2.49
Rot. Bonds5

About N-benzyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine

N-benzyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine (PubChem CID 44547719) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-benzyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
PubChem CID44547719
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-benzyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
SMILESCN[C@H]1CCN(c2ccnc(NCc3ccccc3)c2)C1
InChIInChI=1S/C17H22N4/c1-18-15-8-10-21(13-15)16-7-9-19-17(11-16)20-12-14-5-3-2-4-6-14/h2-7,9,11,15,18H,8,10,12-13H2,1H3,(H,19,20)/t15-/m0/s1
InChIKeyFAQTUDDRRFDJAH-HNNXBMFYSA-N
XLogP2.49
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 75048000
N-(cyclopentylmethyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 75047936
N-(cyclohexylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 44547276
N-[(4-fluorophenyl)methyl]-4-[3-(methylamino)azetidin-1-yl]pyridin-2-amine
CID 58227172
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 58227290
N-benzyl-4-imidazolidin-1-ylpyridin-2-amine
CID 143912574
(3R)-1-(2-chloro-4-pyridinyl)-N-methylpyrrolidin-3-amine
CID 86652499
N-[[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 67087592
CID 87167875
CID 87167875
5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-(2-phenylethyl)pyridazin-3-amine
CID 58227400
N-(2-bicyclo[2.2.1]heptanyl)-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine;dihydrochloride
CID 66815760
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-N-[(1R,2S,3S,5R)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]pyridin-2-amine
CID 67087675

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
The IUPAC name of N-benzyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine (CID 44547719) is N-benzyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine.
What is the SMILES notation for N-benzyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
The canonical SMILES for N-benzyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine is CN[C@H]1CCN(c2ccnc(NCc3ccccc3)c2)C1.
What is the InChIKey of N-benzyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
The InChIKey is FAQTUDDRRFDJAH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N4/c1-18-15-8-10-21(13-15)16-7-9-19-17(11-16)20-12-14-5-3-2-4-6-14/h2-7,9,11,15,18H,8,10,12-13H2,1H3,(H,19,20)/t15-/m0/s1.
What are the key properties of N-benzyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
N-benzyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine is sourced from PubChem (CID 44547719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).