N-(3,4-dichlorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine

C15H15Cl2N3 — CID 15604597

IUPACN-(3,4-dichlorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine
SMILESClc1ccc(N(c2cccnc2)[C@H]2CCNC2)cc1Cl
InChIInChI=1S/C15H15Cl2N3/c16-14-4-3-11(8-15(14)17)20(13-5-7-19-10-13)12-2-1-6-18-9-12/h1-4,6,8-9,13,19H,5,7,10H2/t13-/m0/s1
InChIKeyAJRJSVVCJZGXMX-ZDUSSCGKSA-N
MW308.21 g/mol
LogP3.89
Rot. Bonds3

About N-(3,4-dichlorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine

N-(3,4-dichlorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine (PubChem CID 15604597) has the molecular formula C15H15Cl2N3 and a molecular weight of 308.21 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine
PubChem CID15604597
Molecular FormulaC15H15Cl2N3
Molecular Weight308.21 g/mol
Exact Mass307.06
IUPAC NameN-(3,4-dichlorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine
SMILESClc1ccc(N(c2cccnc2)[C@H]2CCNC2)cc1Cl
InChIInChI=1S/C15H15Cl2N3/c16-14-4-3-11(8-15(14)17)20(13-5-7-19-10-13)12-2-1-6-18-9-12/h1-4,6,8-9,13,19H,5,7,10H2/t13-/m0/s1
InChIKeyAJRJSVVCJZGXMX-ZDUSSCGKSA-N
XLogP3.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-fluoro-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine
CID 15604599
N-(3-chloro-4-fluorophenyl)-N-pyrrolidin-3-ylpyrazin-2-amine
CID 66657165
N-methyl-N-piperidin-3-ylpyridin-3-amine
CID 83698004
N-methyl-N-pyrrolidin-3-ylpyridine-3-sulfonamide
CID 63297947
3-[3-(4-chlorophenyl)piperidin-4-yl]pyridine
CID 79434183
3-[(E)-2-[(3S)-pyrrolidin-3-yl]ethenyl]pyridine
CID 54584446
3-[3-(2-chlorophenyl)piperidin-4-yl]pyridine
CID 79454588
3-chloro-N-methyl-N-piperidin-3-ylpyridin-4-amine
CID 79841702
3-pyrrolidin-3-ylpyridine
CID 3613651
N-ethyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 63299166
1-[(2,5-dichlorophenyl)methyl]-2-pyridin-3-ylpiperazine
CID 120754425
N-piperidin-4-yl-N-(pyridin-3-ylmethyl)isoquinolin-6-amine
CID 59290842

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine (CID 15604597) is N-(3,4-dichlorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine is Clc1ccc(N(c2cccnc2)[C@H]2CCNC2)cc1Cl.
What is the InChIKey of N-(3,4-dichlorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine?
The InChIKey is AJRJSVVCJZGXMX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15Cl2N3/c16-14-4-3-11(8-15(14)17)20(13-5-7-19-10-13)12-2-1-6-18-9-12/h1-4,6,8-9,13,19H,5,7,10H2/t13-/m0/s1.
What are the key properties of N-(3,4-dichlorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine?
N-(3,4-dichlorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine has a molecular weight of 308.21 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-N-[(3S)-pyrrolidin-3-yl]pyridin-3-amine is sourced from PubChem (CID 15604597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).