6-(4-chlorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine

C16H19ClN4 — CID 25095032

IUPAC6-(4-chlorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
SMILESCNC1CCN(c2cc(N)nc(-c3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C16H19ClN4/c1-19-13-6-7-21(10-13)14-8-15(20-16(18)9-14)11-2-4-12(17)5-3-11/h2-5,8-9,13,19H,6-7,10H2,1H3,(H2,18,20)
InChIKeyGRHQMCXNRSDAPW-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.78
Rot. Bonds3

About 6-(4-chlorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine

6-(4-chlorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine (PubChem CID 25095032) has the molecular formula C16H19ClN4 and a molecular weight of 302.81 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
PubChem CID25095032
Molecular FormulaC16H19ClN4
Molecular Weight302.81 g/mol
Exact Mass302.13
IUPAC Name6-(4-chlorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
SMILESCNC1CCN(c2cc(N)nc(-c3ccc(Cl)cc3)c2)C1
InChIInChI=1S/C16H19ClN4/c1-19-13-6-7-21(10-13)14-8-15(20-16(18)9-14)11-2-4-12(17)5-3-11/h2-5,8-9,13,19H,6-7,10H2,1H3,(H2,18,20)
InChIKeyGRHQMCXNRSDAPW-UHFFFAOYSA-N
XLogP2.78
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
The IUPAC name of 6-(4-chlorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine (CID 25095032) is 6-(4-chlorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
The canonical SMILES for 6-(4-chlorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine is CNC1CCN(c2cc(N)nc(-c3ccc(Cl)cc3)c2)C1.
What is the InChIKey of 6-(4-chlorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
The InChIKey is GRHQMCXNRSDAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4/c1-19-13-6-7-21(10-13)14-8-15(20-16(18)9-14)11-2-4-12(17)5-3-11/h2-5,8-9,13,19H,6-7,10H2,1H3,(H2,18,20).
What are the key properties of 6-(4-chlorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine?
6-(4-chlorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine has a molecular weight of 302.81 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine is sourced from PubChem (CID 25095032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).