(3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide

C17H20N6O2 — CID 94125432

IUPAC(3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCNc1ncccn1)[C@@H]1CC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C17H20N6O2/c24-15-10-13(11-23(15)12-14-4-1-2-5-18-14)16(25)19-8-9-22-17-20-6-3-7-21-17/h1-7,13H,8-12H2,(H,19,25)(H,20,21,22)/t13-/m1/s1
InChIKeyQXKFLSNWHGJTLC-CYBMUJFWSA-N
MW340.39 g/mol
LogP0.45
Rot. Bonds7

About (3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide

(3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide (PubChem CID 94125432) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is (3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
PubChem CID94125432
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name(3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
SMILESO=C(NCCNc1ncccn1)[C@@H]1CC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C17H20N6O2/c24-15-10-13(11-23(15)12-14-4-1-2-5-18-14)16(25)19-8-9-22-17-20-6-3-7-21-17/h1-7,13H,8-12H2,(H,19,25)(H,20,21,22)/t13-/m1/s1
InChIKeyQXKFLSNWHGJTLC-CYBMUJFWSA-N
XLogP0.45
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(2-methylpropyl)-5-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 94125427
N-[2-(2-fluorophenoxy)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 72919255
(3S)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97139662
(3S)-N-[2-(2-ethylimidazol-1-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97269177
(3S)-N-(3-imidazol-1-ylpropyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94149499
N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113183926
(3S)-N-(furan-2-ylmethyl)-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94021658
4-[[[5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119136589
(3S)-5-oxo-N-[(1-phenylcyclopropyl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 38825464
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 72875578
(3S)-N-[3-(4-methylpyrazol-1-yl)propyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97279039
(3S)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97270697

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide (CID 94125432) is (3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide is O=C(NCCNc1ncccn1)[C@@H]1CC(=O)N(Cc2ccccn2)C1.
What is the InChIKey of (3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is QXKFLSNWHGJTLC-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N6O2/c24-15-10-13(11-23(15)12-14-4-1-2-5-18-14)16(25)19-8-9-22-17-20-6-3-7-21-17/h1-7,13H,8-12H2,(H,19,25)(H,20,21,22)/t13-/m1/s1.
What are the key properties of (3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide?
(3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 0.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 94125432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).