(3R,4R)-1-benzyl-3-N,4-N-bis(pyridin-2-ylmethyl)pyrrolidine-3,4-diamine

C23H27N5 — CID 132523646

IUPAC(3R,4R)-1-benzyl-3-N,4-N-bis(pyridin-2-ylmethyl)pyrrolidine-3,4-diamine
SMILESc1ccc(CN2C[C@@H](NCc3ccccn3)[C@H](NCc3ccccn3)C2)cc1
InChIInChI=1S/C23H27N5/c1-2-8-19(9-3-1)16-28-17-22(26-14-20-10-4-6-12-24-20)23(18-28)27-15-21-11-5-7-13-25-21/h1-13,22-23,26-27H,14-18H2/t22-,23-/m1/s1
InChIKeyLNQKFTOVIHLWMV-DHIUTWEWSA-N
MW373.50 g/mol
LogP2.61
Rot. Bonds8

About (3R,4R)-1-benzyl-3-N,4-N-bis(pyridin-2-ylmethyl)pyrrolidine-3,4-diamine

(3R,4R)-1-benzyl-3-N,4-N-bis(pyridin-2-ylmethyl)pyrrolidine-3,4-diamine (PubChem CID 132523646) has the molecular formula C23H27N5 and a molecular weight of 373.50 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-3-N,4-N-bis(pyridin-2-ylmethyl)pyrrolidine-3,4-diamine.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-3-N,4-N-bis(pyridin-2-ylmethyl)pyrrolidine-3,4-diamine
PubChem CID132523646
Molecular FormulaC23H27N5
Molecular Weight373.50 g/mol
Exact Mass373.23
IUPAC Name(3R,4R)-1-benzyl-3-N,4-N-bis(pyridin-2-ylmethyl)pyrrolidine-3,4-diamine
SMILESc1ccc(CN2C[C@@H](NCc3ccccn3)[C@H](NCc3ccccn3)C2)cc1
InChIInChI=1S/C23H27N5/c1-2-8-19(9-3-1)16-28-17-22(26-14-20-10-4-6-12-24-20)23(18-28)27-15-21-11-5-7-13-25-21/h1-13,22-23,26-27H,14-18H2/t22-,23-/m1/s1
InChIKeyLNQKFTOVIHLWMV-DHIUTWEWSA-N
XLogP2.61
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-1-benzyl-3-N,4-N-bis(pyridin-2-ylmethyl)pyrrolidine-3,4-diamine with MolForge

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Related Compounds

trans-(1R,2R)-1-N,2-N-bis(pyridin-2-ylmethyl)cyclohexane-1,2-diamine
CID 25052289
(3S,5S)-1-benzyl-5-(pyridin-2-ylmethylcarbamoyl)piperidine-3-carboxylic acid
CID 56875384
(3R,4S)-1-benzyl-4-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-amine
CID 97055439
(3S,4R)-N,1-dibenzyl-4-phenylpyrrolidin-3-amine;hydrochloride
CID 73350587
N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine
CID 115696455
1-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-3-(2-pyridin-2-ylethyl)urea
CID 129429082
1-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-3-(2-pyridin-2-ylethyl)urea
CID 129429081
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455
trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317480
cis-(1S,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317478
trans-(1S,2S)-2-(pyridin-2-ylmethylamino)cyclopentan-1-ol
CID 93317323
4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46055500

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-3-N,4-N-bis(pyridin-2-ylmethyl)pyrrolidine-3,4-diamine?
The IUPAC name of (3R,4R)-1-benzyl-3-N,4-N-bis(pyridin-2-ylmethyl)pyrrolidine-3,4-diamine (CID 132523646) is (3R,4R)-1-benzyl-3-N,4-N-bis(pyridin-2-ylmethyl)pyrrolidine-3,4-diamine.
What is the SMILES notation for (3R,4R)-1-benzyl-3-N,4-N-bis(pyridin-2-ylmethyl)pyrrolidine-3,4-diamine?
The canonical SMILES for (3R,4R)-1-benzyl-3-N,4-N-bis(pyridin-2-ylmethyl)pyrrolidine-3,4-diamine is c1ccc(CN2C[C@@H](NCc3ccccn3)[C@H](NCc3ccccn3)C2)cc1.
What is the InChIKey of (3R,4R)-1-benzyl-3-N,4-N-bis(pyridin-2-ylmethyl)pyrrolidine-3,4-diamine?
The InChIKey is LNQKFTOVIHLWMV-DHIUTWEWSA-N. The full InChI is InChI=1S/C23H27N5/c1-2-8-19(9-3-1)16-28-17-22(26-14-20-10-4-6-12-24-20)23(18-28)27-15-21-11-5-7-13-25-21/h1-13,22-23,26-27H,14-18H2/t22-,23-/m1/s1.
What are the key properties of (3R,4R)-1-benzyl-3-N,4-N-bis(pyridin-2-ylmethyl)pyrrolidine-3,4-diamine?
(3R,4R)-1-benzyl-3-N,4-N-bis(pyridin-2-ylmethyl)pyrrolidine-3,4-diamine has a molecular weight of 373.50 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-3-N,4-N-bis(pyridin-2-ylmethyl)pyrrolidine-3,4-diamine is sourced from PubChem (CID 132523646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).