N-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

C20H26N6O3 — CID 97267692

IUPACN-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@H](C)NC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H26N6O3/c1-15(18(27)23-14-16-6-3-4-7-17(16)29-2)24-20(28)26-12-10-25(11-13-26)19-21-8-5-9-22-19/h3-9,15H,10-14H2,1-2H3,(H,23,27)(H,24,28)/t15-/m1/s1
InChIKeyDHPRSSXEFRJXMX-OAHLLOKOSA-N
MW398.47 g/mol
LogP1.02
Rot. Bonds6

About N-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 97267692) has the molecular formula C20H26N6O3 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID97267692
Molecular FormulaC20H26N6O3
Molecular Weight398.47 g/mol
Exact Mass398.21
IUPAC NameN-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@@H](C)NC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C20H26N6O3/c1-15(18(27)23-14-16-6-3-4-7-17(16)29-2)24-20(28)26-12-10-25(11-13-26)19-21-8-5-9-22-19/h3-9,15H,10-14H2,1-2H3,(H,23,27)(H,24,28)/t15-/m1/s1
InChIKeyDHPRSSXEFRJXMX-OAHLLOKOSA-N
XLogP1.02
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-[(3-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 71964479
N-[1-(2-methoxyanilino)-1-oxopropan-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 171138978
N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108897251
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide
CID 52897953
4-(4-fluorophenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]piperazine-1-carboxamide
CID 95395325
N-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 71691785
N-[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 96564094
N-[(2R)-1-[2-(3-fluorophenyl)ethylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 96563957
N-(4-phenylbutan-2-yl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 47015071
N-[(2-methoxyphenyl)methyl]-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103966
2-(2-methoxyphenyl)-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 95100131
N-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 38150329

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 97267692) is N-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is COc1ccccc1CNC(=O)[C@@H](C)NC(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is DHPRSSXEFRJXMX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N6O3/c1-15(18(27)23-14-16-6-3-4-7-17(16)29-2)24-20(28)26-12-10-25(11-13-26)19-21-8-5-9-22-19/h3-9,15H,10-14H2,1-2H3,(H,23,27)(H,24,28)/t15-/m1/s1.
What are the key properties of N-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 97267692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).