6-N-benzyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine

C17H23N5 — CID 54585777

IUPAC6-N-benzyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine
SMILESCN[C@@H]1CCN(c2cc(N)nc(NCc3ccccc3)c2)C1
InChIInChI=1S/C17H23N5/c1-19-14-7-8-22(12-14)15-9-16(18)21-17(10-15)20-11-13-5-3-2-4-6-13/h2-6,9-10,14,19H,7-8,11-12H2,1H3,(H3,18,20,21)/t14-/m1/s1
InChIKeyRSADFFRMVWZCLP-CQSZACIVSA-N
MW297.41 g/mol
LogP2.07
Rot. Bonds5

About 6-N-benzyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine

6-N-benzyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine (PubChem CID 54585777) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 6-N-benzyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-benzyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine
PubChem CID54585777
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name6-N-benzyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine
SMILESCN[C@@H]1CCN(c2cc(N)nc(NCc3ccccc3)c2)C1
InChIInChI=1S/C17H23N5/c1-19-14-7-8-22(12-14)15-9-16(18)21-17(10-15)20-11-13-5-3-2-4-6-13/h2-6,9-10,14,19H,7-8,11-12H2,1H3,(H3,18,20,21)/t14-/m1/s1
InChIKeyRSADFFRMVWZCLP-CQSZACIVSA-N
XLogP2.07
TPSA66.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-benzyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine?
The IUPAC name of 6-N-benzyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine (CID 54585777) is 6-N-benzyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine.
What is the SMILES notation for 6-N-benzyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine?
The canonical SMILES for 6-N-benzyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine is CN[C@@H]1CCN(c2cc(N)nc(NCc3ccccc3)c2)C1.
What is the InChIKey of 6-N-benzyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine?
The InChIKey is RSADFFRMVWZCLP-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5/c1-19-14-7-8-22(12-14)15-9-16(18)21-17(10-15)20-11-13-5-3-2-4-6-13/h2-6,9-10,14,19H,7-8,11-12H2,1H3,(H3,18,20,21)/t14-/m1/s1.
What are the key properties of 6-N-benzyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine?
6-N-benzyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine has a molecular weight of 297.41 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-benzyl-4-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyridine-2,6-diamine is sourced from PubChem (CID 54585777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).