N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide

C20H25N5O2 — CID 95723174

IUPACN-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)Nc1ncc(C(=O)N[C@@H]2CC(=O)N(CCc3ccccc3)C2)cn1
InChIInChI=1S/C20H25N5O2/c1-14(2)23-20-21-11-16(12-22-20)19(27)24-17-10-18(26)25(13-17)9-8-15-6-4-3-5-7-15/h3-7,11-12,14,17H,8-10,13H2,1-2H3,(H,24,27)(H,21,22,23)/t17-/m1/s1
InChIKeyRFDBSEMYPBYUIP-QGZVFWFLSA-N
MW367.45 g/mol
LogP1.87
Rot. Bonds7

About N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide

N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide (PubChem CID 95723174) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
PubChem CID95723174
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)Nc1ncc(C(=O)N[C@@H]2CC(=O)N(CCc3ccccc3)C2)cn1
InChIInChI=1S/C20H25N5O2/c1-14(2)23-20-21-11-16(12-22-20)19(27)24-17-10-18(26)25(13-17)9-8-15-6-4-3-5-7-15/h3-7,11-12,14,17H,8-10,13H2,1-2H3,(H,24,27)(H,21,22,23)/t17-/m1/s1
InChIKeyRFDBSEMYPBYUIP-QGZVFWFLSA-N
XLogP1.87
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 42509730
5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 25281084
N-[5-oxo-1-(3-phenylpropyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 45176103
N-(1-benzyl-5-oxopyrrolidin-3-yl)-6-methylpyridine-3-carboxamide
CID 56826631
N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
CID 95723506
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-propylpyrazole-3-carboxamide
CID 56898533
2,5-dimethyl-N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]furan-3-carboxamide
CID 45193623
N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 125164428
N-[5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]cyclobutanecarboxamide
CID 45195311
N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 95714998
(2S)-2-(4-chloropyrazol-1-yl)-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 51583786
3-methoxy-N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]propanamide
CID 25395480

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide (CID 95723174) is N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide is CC(C)Nc1ncc(C(=O)N[C@@H]2CC(=O)N(CCc3ccccc3)C2)cn1.
What is the InChIKey of N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The InChIKey is RFDBSEMYPBYUIP-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-14(2)23-20-21-11-16(12-22-20)19(27)24-17-10-18(26)25(13-17)9-8-15-6-4-3-5-7-15/h3-7,11-12,14,17H,8-10,13H2,1-2H3,(H,24,27)(H,21,22,23)/t17-/m1/s1.
What are the key properties of N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 95723174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).