N-[(3S)-3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

C18H26ClN5O2 — CID 167785596

IUPACN-[(3S)-3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCC[C@H](C)Nc2cc(Cl)nc(C3CC3)n2)CC1=O
InChIInChI=1S/C18H26ClN5O2/c1-3-24-10-13(8-16(24)25)18(26)20-7-6-11(2)21-15-9-14(19)22-17(23-15)12-4-5-12/h9,11-13H,3-8,10H2,1-2H3,(H,20,26)(H,21,22,23)/t11-,13?/m0/s1
InChIKeyGPUWUYDCIIGZLY-AMGKYWFPSA-N
MW379.89 g/mol
LogP2.18
Rot. Bonds8

About N-[(3S)-3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

N-[(3S)-3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 167785596) has the molecular formula C18H26ClN5O2 and a molecular weight of 379.89 g/mol. Its IUPAC name is N-[(3S)-3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID167785596
Molecular FormulaC18H26ClN5O2
Molecular Weight379.89 g/mol
Exact Mass379.18
IUPAC NameN-[(3S)-3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CC(C(=O)NCC[C@H](C)Nc2cc(Cl)nc(C3CC3)n2)CC1=O
InChIInChI=1S/C18H26ClN5O2/c1-3-24-10-13(8-16(24)25)18(26)20-7-6-11(2)21-15-9-14(19)22-17(23-15)12-4-5-12/h9,11-13H,3-8,10H2,1-2H3,(H,20,26)(H,21,22,23)/t11-,13?/m0/s1
InChIKeyGPUWUYDCIIGZLY-AMGKYWFPSA-N
XLogP2.18
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S)-3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[2-(5-chloro-4-methyl-1,3-thiazol-2-yl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 97192188
(3R)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
CID 97206513
(3S)-1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
CID 97206514
6-chloro-2-cyclopropyl-N-pentan-3-ylpyrimidin-4-amine
CID 80948003
N-(3-methylbutyl)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 47025507
1-ethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 72916628
N-(2,3-dihydroxy-2-methylpropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 66171296
N-(2-cyclopropyl-2-hydroxyethyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 63294241
N-(3-amino-2-hydroxy-3-oxopropyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 114152589
N-(6-chloro-2-cyclopropylpyrimidin-4-yl)cyclopropanecarboxamide
CID 165132565
(3S)-1-ethyl-5-oxo-N-(3-pyridin-2-ylpropyl)pyrrolidine-3-carboxamide
CID 97112567
N-[(2-chloro-4-methylphenyl)methyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 143820684

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(3S)-3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 167785596) is N-[(3S)-3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3S)-3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3S)-3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is CCN1CC(C(=O)NCC[C@H](C)Nc2cc(Cl)nc(C3CC3)n2)CC1=O.
What is the InChIKey of N-[(3S)-3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GPUWUYDCIIGZLY-AMGKYWFPSA-N. The full InChI is InChI=1S/C18H26ClN5O2/c1-3-24-10-13(8-16(24)25)18(26)20-7-6-11(2)21-15-9-14(19)22-17(23-15)12-4-5-12/h9,11-13H,3-8,10H2,1-2H3,(H,20,26)(H,21,22,23)/t11-,13?/m0/s1.
What are the key properties of N-[(3S)-3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
N-[(3S)-3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 379.89 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-3-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]butyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 167785596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).