N-[(2S)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

C21H23N7O2 — CID 71691849

IUPACN-[(2S)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C21H23N7O2/c1-15(19(29)26-18-7-2-6-17-16(18)5-3-8-22-17)25-21(30)28-13-11-27(12-14-28)20-23-9-4-10-24-20/h2-10,15H,11-14H2,1H3,(H,25,30)(H,26,29)/t15-/m0/s1
InChIKeyDLJFWHRXCCWMII-HNNXBMFYSA-N
MW405.46 g/mol
LogP1.88
Rot. Bonds4

About N-[(2S)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-[(2S)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 71691849) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID71691849
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC NameN-[(2S)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C21H23N7O2/c1-15(19(29)26-18-7-2-6-17-16(18)5-3-8-22-17)25-21(30)28-13-11-27(12-14-28)20-23-9-4-10-24-20/h2-10,15H,11-14H2,1H3,(H,25,30)(H,26,29)/t15-/m0/s1
InChIKeyDLJFWHRXCCWMII-HNNXBMFYSA-N
XLogP1.88
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2S)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 96564094
N-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 71691785
N-[(2S)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 71964489
2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
N-[1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 53368538
N-[(2S)-1-[(3-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 71964479
1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea
CID 51928178
N-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 171138978
2-methylsulfanyl-N-quinolin-5-ylpropanamide
CID 47188211
2,3-dimethyl-4-oxo-4-(quinolin-5-ylamino)butanoic acid
CID 103496081
2-(4-acetylpiperazin-1-yl)-N-quinolin-5-ylacetamide
CID 17428284
N-[(2R)-1-[2-(3-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 96563957

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 71691849) is N-[(2S)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is C[C@H](NC(=O)N1CCN(c2ncccn2)CC1)C(=O)Nc1cccc2ncccc12.
What is the InChIKey of N-[(2S)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is DLJFWHRXCCWMII-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-15(19(29)26-18-7-2-6-17-16(18)5-3-8-22-17)25-21(30)28-13-11-27(12-14-28)20-23-9-4-10-24-20/h2-10,15H,11-14H2,1H3,(H,25,30)(H,26,29)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-[(2S)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-oxo-1-(quinolin-5-ylamino)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 71691849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).