(5R)-5-[4-[(3S)-3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione

C22H25N5O3 — CID 134495091

IUPAC(5R)-5-[4-[(3S)-3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cnc(N[C@H]2CCN(C(=O)c3ccc([C@@]4(C)NC(=O)NC4=O)cc3)C2)c(C)c1
InChIInChI=1S/C22H25N5O3/c1-13-10-14(2)18(23-11-13)24-17-8-9-27(12-17)19(28)15-4-6-16(7-5-15)22(3)20(29)25-21(30)26-22/h4-7,10-11,17H,8-9,12H2,1-3H3,(H,23,24)(H2,25,26,29,30)/t17-,22+/m0/s1
InChIKeyMLYLZSROAUWQRD-HTAPYJJXSA-N
MW407.47 g/mol
LogP2.08
Rot. Bonds4

About (5R)-5-[4-[(3S)-3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione

(5R)-5-[4-[(3S)-3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 134495091) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is (5R)-5-[4-[(3S)-3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[4-[(3S)-3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID134495091
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name(5R)-5-[4-[(3S)-3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCc1cnc(N[C@H]2CCN(C(=O)c3ccc([C@@]4(C)NC(=O)NC4=O)cc3)C2)c(C)c1
InChIInChI=1S/C22H25N5O3/c1-13-10-14(2)18(23-11-13)24-17-8-9-27(12-17)19(28)15-4-6-16(7-5-15)22(3)20(29)25-21(30)26-22/h4-7,10-11,17H,8-9,12H2,1-3H3,(H,23,24)(H2,25,26,29,30)/t17-,22+/m0/s1
InChIKeyMLYLZSROAUWQRD-HTAPYJJXSA-N
XLogP2.08
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-ethylimidazolidine-2,4-dione
CID 134494383
5-[4-[3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-(fluoromethyl)imidazolidine-2,4-dione
CID 134494613
5-methyl-5-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 134494989
(5S)-5-methyl-5-[4-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]imidazolidine-2,4-dione
CID 95971979
(5R)-5-[4-[(3R)-3-aminopiperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 124593322
5-[4-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 134494385
(5R)-5-[4-[(3S)-3-[(1S)-1-aminoethyl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 124690838
(2S,3S)-3-[(3,5-dimethyl-2-pyridinyl)amino]-1-[4-[(4R)-2,5-dioxo-4-propan-2-ylimidazolidin-4-yl]benzoyl]pyrrolidine-2-carboxylic acid
CID 134495042
(5R)-5-[4-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 124589328
5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-2-fluorophenyl]-5-methylimidazolidine-2,4-dione
CID 134494483
5-[4-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 127758807
5-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-5-(2-methoxyethyl)imidazolidine-2,4-dione
CID 134494545

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-[(3S)-3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[4-[(3S)-3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione (CID 134495091) is (5R)-5-[4-[(3S)-3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[4-[(3S)-3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[4-[(3S)-3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione is Cc1cnc(N[C@H]2CCN(C(=O)c3ccc([C@@]4(C)NC(=O)NC4=O)cc3)C2)c(C)c1.
What is the InChIKey of (5R)-5-[4-[(3S)-3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is MLYLZSROAUWQRD-HTAPYJJXSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-13-10-14(2)18(23-11-13)24-17-8-9-27(12-17)19(28)15-4-6-16(7-5-15)22(3)20(29)25-21(30)26-22/h4-7,10-11,17H,8-9,12H2,1-3H3,(H,23,24)(H2,25,26,29,30)/t17-,22+/m0/s1.
What are the key properties of (5R)-5-[4-[(3S)-3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?
(5R)-5-[4-[(3S)-3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 407.47 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[4-[(3S)-3-[(3,5-dimethyl-2-pyridinyl)amino]pyrrolidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 134495091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).