(3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3,5-dicarboxamide

C18H26N6O3 — CID 72855349

IUPAC(3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3,5-dicarboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)NCCN3CCNC3=O)C2)cn1
InChIInChI=1S/C18H26N6O3/c1-12-2-3-15(11-22-12)23-17(26)14-8-13(9-19-10-14)16(25)20-4-6-24-7-5-21-18(24)27/h2-3,11,13-14,19H,4-10H2,1H3,(H,20,25)(H,21,27)(H,23,26)/t13-,14+/m1/s1
InChIKeyCXYODUTVDWCIKN-KGLIPLIRSA-N
MW374.45 g/mol
LogP-0.30
Rot. Bonds6

About (3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3,5-dicarboxamide

(3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3,5-dicarboxamide (PubChem CID 72855349) has the molecular formula C18H26N6O3 and a molecular weight of 374.45 g/mol. Its IUPAC name is (3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3,5-dicarboxamide.

Molecular Properties

Compound Name(3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3,5-dicarboxamide
PubChem CID72855349
Molecular FormulaC18H26N6O3
Molecular Weight374.45 g/mol
Exact Mass374.21
IUPAC Name(3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3,5-dicarboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)NCCN3CCNC3=O)C2)cn1
InChIInChI=1S/C18H26N6O3/c1-12-2-3-15(11-22-12)23-17(26)14-8-13(9-19-10-14)16(25)20-4-6-24-7-5-21-18(24)27/h2-3,11,13-14,19H,4-10H2,1H3,(H,20,25)(H,21,27)(H,23,26)/t13-,14+/m1/s1
InChIKeyCXYODUTVDWCIKN-KGLIPLIRSA-N
XLogP-0.30
TPSA115.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[(3-methylthiophen-2-yl)methyl]piperidine-3,5-dicarboxamide
CID 72837122
(3R,5S)-3-N-(2-imidazol-1-ylethyl)-5-N-(4-methylphenyl)piperidine-3,5-dicarboxamide
CID 72916190
(3R,5S)-1-[(3,4-dimethoxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
CID 56856945
(3S,5S)-1-(2-methylpropyl)-5-[(6-methyl-3-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 56868089
N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 63005233
N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide
CID 81426071
N-[2-(3-methylpyrazol-1-yl)ethyl]azetidine-3-carboxamide
CID 73439221
N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119853598
(3S,5S)-5-[(6-methyl-3-pyridinyl)carbamoyl]-1-(oxan-4-yl)piperidine-3-carboxylic acid
CID 56889596
N-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119869315
(3S)-1-[(2-fluorophenyl)methyl]-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
CID 42304508
(1R,2R,3R,4S)-3-N-(6-methyl-3-pyridinyl)-2-N-(4-pyrrolidin-1-ylbutyl)spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2,3-dicarboxamide;hydrochloride
CID 127024798

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3,5-dicarboxamide?
The IUPAC name of (3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3,5-dicarboxamide (CID 72855349) is (3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3,5-dicarboxamide.
What is the SMILES notation for (3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3,5-dicarboxamide?
The canonical SMILES for (3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3,5-dicarboxamide is Cc1ccc(NC(=O)[C@@H]2CNC[C@H](C(=O)NCCN3CCNC3=O)C2)cn1.
What is the InChIKey of (3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3,5-dicarboxamide?
The InChIKey is CXYODUTVDWCIKN-KGLIPLIRSA-N. The full InChI is InChI=1S/C18H26N6O3/c1-12-2-3-15(11-22-12)23-17(26)14-8-13(9-19-10-14)16(25)20-4-6-24-7-5-21-18(24)27/h2-3,11,13-14,19H,4-10H2,1H3,(H,20,25)(H,21,27)(H,23,26)/t13-,14+/m1/s1.
What are the key properties of (3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3,5-dicarboxamide?
(3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3,5-dicarboxamide has a molecular weight of 374.45 g/mol, XLogP of -0.30, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-N-(6-methyl-3-pyridinyl)-3-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3,5-dicarboxamide is sourced from PubChem (CID 72855349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).