N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrazine-2-carboxamide

C21H23N5O5 — CID 7050112

IUPACN-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrazine-2-carboxamide
SMILESNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1=C[C@@H](NC(=O)c2cnccn2)[C@@H](O)[C@H](O)C1
InChIInChI=1S/C21H23N5O5/c22-19(29)15(8-12-4-2-1-3-5-12)26-20(30)13-9-14(18(28)17(27)10-13)25-21(31)16-11-23-6-7-24-16/h1-7,9,11,14-15,17-18,27-28H,8,10H2,(H2,22,29)(H,25,31)(H,26,30)/t14-,15-,17-,18-/m1/s1
InChIKeyGSDCWWTWPHILPM-JOCBIADPSA-N
MW425.45 g/mol
LogP-1.16
Rot. Bonds7

About N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrazine-2-carboxamide

N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrazine-2-carboxamide (PubChem CID 7050112) has the molecular formula C21H23N5O5 and a molecular weight of 425.45 g/mol. Its IUPAC name is N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrazine-2-carboxamide
PubChem CID7050112
Molecular FormulaC21H23N5O5
Molecular Weight425.45 g/mol
Exact Mass425.17
IUPAC NameN-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrazine-2-carboxamide
SMILESNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1=C[C@@H](NC(=O)c2cnccn2)[C@@H](O)[C@H](O)C1
InChIInChI=1S/C21H23N5O5/c22-19(29)15(8-12-4-2-1-3-5-12)26-20(30)13-9-14(18(28)17(27)10-13)25-21(31)16-11-23-6-7-24-16/h1-7,9,11,14-15,17-18,27-28H,8,10H2,(H2,22,29)(H,25,31)(H,26,30)/t14-,15-,17-,18-/m1/s1
InChIKeyGSDCWWTWPHILPM-JOCBIADPSA-N
XLogP-1.16
TPSA167.53 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 5-1.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrazine-2-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

2-[2-[[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]amino]-2-oxoethyl]sulfanylacetic acid
CID 3801911
N-[3-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]piperidine-4-carboxamide
CID 3685127
[(2S)-1-[[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylazanium
CID 11866304
(3S,4R,5R)-N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-4,5-dihydroxy-3-[(4-methylphenyl)carbamoylamino]cyclohexene-1-carboxamide
CID 163024520
2-[1-[2-[[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 7050120
N-[(1R,5R,6R)-3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]furan-2-carboxamide
CID 7050082
N-[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(cyclohexylcarbamoylamino)-4,5-dihydroxycyclohexene-1-carboxamide
CID 3711533
(3R,4R,5R)-N-[(2S)-1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-4,5-dihydroxy-3-(propylcarbamoylamino)cyclohexene-1-carboxamide
CID 11865671
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,6-naphthyridine-2-carboxamide
CID 73314123
N-[(2S)-1-[[(E)-3-methylbut-1-enyl]amino]-1-oxo-3-phenylpropan-2-yl]pyrazine-2-carboxamide
CID 163197279
N-[1-oxo-3-phenyl-1-[2-(pyridine-4-carbonyl)hydrazinyl]propan-2-yl]pyrazine-2-carboxamide
CID 146576189
5,5-dimethyl-2-[[3-phenyl-2-(pyrazine-2-carbonylamino)propanoyl]amino]hexanoic acid
CID 175532859

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrazine-2-carboxamide (CID 7050112) is N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrazine-2-carboxamide is NC(=O)[C@@H](Cc1ccccc1)NC(=O)C1=C[C@@H](NC(=O)c2cnccn2)[C@@H](O)[C@H](O)C1.
What is the InChIKey of N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrazine-2-carboxamide?
The InChIKey is GSDCWWTWPHILPM-JOCBIADPSA-N. The full InChI is InChI=1S/C21H23N5O5/c22-19(29)15(8-12-4-2-1-3-5-12)26-20(30)13-9-14(18(28)17(27)10-13)25-21(31)16-11-23-6-7-24-16/h1-7,9,11,14-15,17-18,27-28H,8,10H2,(H2,22,29)(H,25,31)(H,26,30)/t14-,15-,17-,18-/m1/s1.
What are the key properties of N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrazine-2-carboxamide?
N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrazine-2-carboxamide has a molecular weight of 425.45 g/mol, XLogP of -1.16, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R,6R)-3-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 7050112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).