N-dodecyl-1-[1-(pyridin-2-ylmethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

C28H46N4O2 — CID 67813933

IUPACN-dodecyl-1-[1-(pyridin-2-ylmethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESCCCCCCCCCCCCNC(=O)C1CCCN1C(=O)C1CCCN1Cc1ccccn1
InChIInChI=1S/C28H46N4O2/c1-2-3-4-5-6-7-8-9-10-12-20-30-27(33)25-17-15-22-32(25)28(34)26-18-14-21-31(26)23-24-16-11-13-19-29-24/h11,13,16,19,25-26H,2-10,12,14-15,17-18,20-23H2,1H3,(H,30,33)
InChIKeyOZXFTOYPFMTSGM-UHFFFAOYSA-N
MW470.70 g/mol
LogP5.07
Rot. Bonds15

About N-dodecyl-1-[1-(pyridin-2-ylmethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

N-dodecyl-1-[1-(pyridin-2-ylmethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 67813933) has the molecular formula C28H46N4O2 and a molecular weight of 470.70 g/mol. Its IUPAC name is N-dodecyl-1-[1-(pyridin-2-ylmethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-dodecyl-1-[1-(pyridin-2-ylmethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
PubChem CID67813933
Molecular FormulaC28H46N4O2
Molecular Weight470.70 g/mol
Exact Mass470.36
IUPAC NameN-dodecyl-1-[1-(pyridin-2-ylmethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESCCCCCCCCCCCCNC(=O)C1CCCN1C(=O)C1CCCN1Cc1ccccn1
InChIInChI=1S/C28H46N4O2/c1-2-3-4-5-6-7-8-9-10-12-20-30-27(33)25-17-15-22-32(25)28(34)26-18-14-21-31(26)23-24-16-11-13-19-29-24/h11,13,16,19,25-26H,2-10,12,14-15,17-18,20-23H2,1H3,(H,30,33)
InChIKeyOZXFTOYPFMTSGM-UHFFFAOYSA-N
XLogP5.07
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.70
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(benzylcarbamoyl)pyrrolidine-2-carbonyl]-N-dodecylpyrrolidine-2-carboxamide
CID 67810807
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
2-[2-(dodecylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 67813627
(2S)-1-benzyl-N-butylpyrrolidine-2-carboxamide
CID 131848769
1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3310789
(2S)-1-methylsulfonyl-N-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxamide
CID 118792152
ethyl 1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylate
CID 62028172
2-(dodecylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 67813916
(2S)-N-hexyl-1-pyrimidin-2-ylpiperidine-2-carboxamide
CID 51935919
(2S)-N-(pyridin-2-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 53300637
4-[(2S)-2-(heptylcarbamoyl)pyrrolidin-1-yl]-4-oxobutanoic acid
CID 177401616
1-N,2-N-dibutylpyrrolidine-1,2-dicarboxamide
CID 150722678

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-1-[1-(pyridin-2-ylmethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-dodecyl-1-[1-(pyridin-2-ylmethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide (CID 67813933) is N-dodecyl-1-[1-(pyridin-2-ylmethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-dodecyl-1-[1-(pyridin-2-ylmethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-dodecyl-1-[1-(pyridin-2-ylmethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide is CCCCCCCCCCCCNC(=O)C1CCCN1C(=O)C1CCCN1Cc1ccccn1.
What is the InChIKey of N-dodecyl-1-[1-(pyridin-2-ylmethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is OZXFTOYPFMTSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46N4O2/c1-2-3-4-5-6-7-8-9-10-12-20-30-27(33)25-17-15-22-32(25)28(34)26-18-14-21-31(26)23-24-16-11-13-19-29-24/h11,13,16,19,25-26H,2-10,12,14-15,17-18,20-23H2,1H3,(H,30,33).
What are the key properties of N-dodecyl-1-[1-(pyridin-2-ylmethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
N-dodecyl-1-[1-(pyridin-2-ylmethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 470.70 g/mol, XLogP of 5.07, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-1-[1-(pyridin-2-ylmethyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 67813933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).