1-(2,6-diaminohexanoyl)-N-(1-phenyl-2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide

C24H33N5O2 — CID 123233859

IUPAC1-(2,6-diaminohexanoyl)-N-(1-phenyl-2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
SMILESNCCCCC(N)C(=O)N1CCCC1C(=O)NC(Cc1ccccn1)c1ccccc1
InChIInChI=1S/C24H33N5O2/c25-14-6-4-12-20(26)24(31)29-16-8-13-22(29)23(30)28-21(18-9-2-1-3-10-18)17-19-11-5-7-15-27-19/h1-3,5,7,9-11,15,20-22H,4,6,8,12-14,16-17,25-26H2,(H,28,30)
InChIKeyBEEHQODUONYQIO-UHFFFAOYSA-N
MW423.56 g/mol
LogP1.93
Rot. Bonds10

About 1-(2,6-diaminohexanoyl)-N-(1-phenyl-2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide

1-(2,6-diaminohexanoyl)-N-(1-phenyl-2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 123233859) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 1-(2,6-diaminohexanoyl)-N-(1-phenyl-2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2,6-diaminohexanoyl)-N-(1-phenyl-2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
PubChem CID123233859
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name1-(2,6-diaminohexanoyl)-N-(1-phenyl-2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
SMILESNCCCCC(N)C(=O)N1CCCC1C(=O)NC(Cc1ccccn1)c1ccccc1
InChIInChI=1S/C24H33N5O2/c25-14-6-4-12-20(26)24(31)29-16-8-13-22(29)23(30)28-21(18-9-2-1-3-10-18)17-19-11-5-7-15-27-19/h1-3,5,7,9-11,15,20-22H,4,6,8,12-14,16-17,25-26H2,(H,28,30)
InChIKeyBEEHQODUONYQIO-UHFFFAOYSA-N
XLogP1.93
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-amino-3-(4-hydroxyphenyl)propanoyl]-N-(1-phenyl-2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 122572977
1-(2-aminoacetyl)-N-(1-phenyl-2-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 134541281
(2S)-2-amino-4-methyl-1-[(2S)-2-[1-[[(1S)-1-phenyl-2-pyridin-2-ylethyl]amino]ethenyl]pyrrolidin-1-yl]pentan-1-one
CID 166762831
2-[[2-[[1-(2,6-diaminohexanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid
CID 18308119
tert-butyl N-[4-methyl-1-oxo-1-[2-[(1-phenyl-2-pyridin-2-ylethyl)carbamoyl]pyrrolidin-1-yl]pentan-2-yl]carbamate
CID 123791716
(2S)-2-[[(2R)-1-[(2R)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
CID 129360038
(2R)-1-(2,6-diaminohexanoyl)pyrrolidine-2-carboxylic acid
CID 67280679
(2S)-2-[[(2R)-1-(2,6-diaminohexanoyl)pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid
CID 118063861
4-amino-5-[2-[[6-amino-1-[(1-carboxy-2-phenylethyl)amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
CID 22698409
2-[[1-[1-(2,6-diaminohexanoyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]butanedioic acid
CID 18308129
(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carboxylic acid;hydrobromide
CID 131697995
(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
CID 11937738

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diaminohexanoyl)-N-(1-phenyl-2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2,6-diaminohexanoyl)-N-(1-phenyl-2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide (CID 123233859) is 1-(2,6-diaminohexanoyl)-N-(1-phenyl-2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2,6-diaminohexanoyl)-N-(1-phenyl-2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2,6-diaminohexanoyl)-N-(1-phenyl-2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide is NCCCCC(N)C(=O)N1CCCC1C(=O)NC(Cc1ccccn1)c1ccccc1.
What is the InChIKey of 1-(2,6-diaminohexanoyl)-N-(1-phenyl-2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is BEEHQODUONYQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c25-14-6-4-12-20(26)24(31)29-16-8-13-22(29)23(30)28-21(18-9-2-1-3-10-18)17-19-11-5-7-15-27-19/h1-3,5,7,9-11,15,20-22H,4,6,8,12-14,16-17,25-26H2,(H,28,30).
What are the key properties of 1-(2,6-diaminohexanoyl)-N-(1-phenyl-2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide?
1-(2,6-diaminohexanoyl)-N-(1-phenyl-2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 1.93, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diaminohexanoyl)-N-(1-phenyl-2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 123233859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).