N-[3-[cyclohexyl(methyl)amino]-2-oxopropyl]-2-[3-[[(2Z)-2-hydroxyimino-3-iminobutyl]amino]-2-oxopyrazin-1-yl]butanamide

C22H35N7O4 — CID 142039067

IUPACN-[3-[cyclohexyl(methyl)amino]-2-oxopropyl]-2-[3-[[(2Z)-2-hydroxyimino-3-iminobutyl]amino]-2-oxopyrazin-1-yl]butanamide
SMILES[H]/N=C(C)/C(CNc1nccn(C(CC)C(=O)NCC(=O)CN(C)C2CCCCC2)c1=O)=N\O
InChIInChI=1S/C22H35N7O4/c1-4-19(21(31)26-12-17(30)14-28(3)16-8-6-5-7-9-16)29-11-10-24-20(22(29)32)25-13-18(27-33)15(2)23/h10-11,16,19,23,33H,4-9,12-14H2,1-3H3,(H,24,25)(H,26,31)/b23-15+,27-18-
InChIKeyCVNOPODOOSNPQR-SPOPVUIMSA-N
MW461.57 g/mol
LogP1.43
Rot. Bonds12

About N-[3-[cyclohexyl(methyl)amino]-2-oxopropyl]-2-[3-[[(2Z)-2-hydroxyimino-3-iminobutyl]amino]-2-oxopyrazin-1-yl]butanamide

N-[3-[cyclohexyl(methyl)amino]-2-oxopropyl]-2-[3-[[(2Z)-2-hydroxyimino-3-iminobutyl]amino]-2-oxopyrazin-1-yl]butanamide (PubChem CID 142039067) has the molecular formula C22H35N7O4 and a molecular weight of 461.57 g/mol. Its IUPAC name is N-[3-[cyclohexyl(methyl)amino]-2-oxopropyl]-2-[3-[[(2Z)-2-hydroxyimino-3-iminobutyl]amino]-2-oxopyrazin-1-yl]butanamide.

Molecular Properties

Compound NameN-[3-[cyclohexyl(methyl)amino]-2-oxopropyl]-2-[3-[[(2Z)-2-hydroxyimino-3-iminobutyl]amino]-2-oxopyrazin-1-yl]butanamide
PubChem CID142039067
Molecular FormulaC22H35N7O4
Molecular Weight461.57 g/mol
Exact Mass461.28
IUPAC NameN-[3-[cyclohexyl(methyl)amino]-2-oxopropyl]-2-[3-[[(2Z)-2-hydroxyimino-3-iminobutyl]amino]-2-oxopyrazin-1-yl]butanamide
SMILES[H]/N=C(C)/C(CNc1nccn(C(CC)C(=O)NCC(=O)CN(C)C2CCCCC2)c1=O)=N\O
InChIInChI=1S/C22H35N7O4/c1-4-19(21(31)26-12-17(30)14-28(3)16-8-6-5-7-9-16)29-11-10-24-20(22(29)32)25-13-18(27-33)15(2)23/h10-11,16,19,23,33H,4-9,12-14H2,1-3H3,(H,24,25)(H,26,31)/b23-15+,27-18-
InChIKeyCVNOPODOOSNPQR-SPOPVUIMSA-N
XLogP1.43
TPSA152.77 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[3-[cyclohexyl(methyl)amino]-2-oxopropyl]-2-[3-[[(2Z)-2-hydroxyimino-3-iminobutyl]amino]-2-oxopyrazin-1-yl]butanamide 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-[3-[cyclohexyl(methyl)amino]-2-oxopropyl]-2-[3-(2,3-diiminobutylamino)-2-oxopyrazin-1-yl]butanamide
CID 88938553
2-[3-[[(3Z)-2-imino-3-methoxyiminobutyl]amino]-2-oxopyrazin-1-yl]-N-(2-oxopropyl)butanamide
CID 89257532
2-[3-[[(3Z)-3-hydroxyimino-2-iminobutyl]amino]-2-oxopyrazin-1-yl]-N-(2-oxopropyl)butanamide
CID 136436639
(2S)-N-[3-(7-azabicyclo[2.2.1]heptan-7-yl)-2-oxopropyl]-2-[3-[[(3Z)-3-hydroxyimino-2-iminobutyl]amino]-2-oxopyrazin-1-yl]butanamide
CID 136436641
2-[5-[[(3Z)-3-hydroxyimino-2-iminobutyl]amino]-6-oxo-2,3-dihydropyrazin-1-yl]-N-[4-[methyl(prop-2-enyl)amino]-3-oxobutan-2-yl]butanamide
CID 136436653
N-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxopropyl]-2-[3-[[(3Z)-3-hydroxyimino-2-methyliminobutyl]amino]-2-oxopyrazin-1-yl]butanamide
CID 136436661
[(Z)-[1-[[4-[1-[[3-[cyclohexyl(methyl)amino]-2-oxopropyl]amino]-1-oxobutan-2-yl]-3-oxopyrazin-2-yl]amino]-3-iminobutan-2-ylidene]amino]oxidanium
CID 142039066
2-[3-(2,3-diiminobutylamino)-2-oxopyrazin-1-yl]-N-(2-oxopropyl)butanamide
CID 142039095
[4-imino-6-[[3-oxo-4-[(2S)-1-oxo-1-[(2-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]pyrazin-2-yl]amino]hexan-3-ylidene]azanide
CID 142039138
(2S)-2-[3-(3,4-diiminohexylamino)-2-oxopyrazin-1-yl]-N-(2-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 142039139

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexyl(methyl)amino]-2-oxopropyl]-2-[3-[[(2Z)-2-hydroxyimino-3-iminobutyl]amino]-2-oxopyrazin-1-yl]butanamide?
The IUPAC name of N-[3-[cyclohexyl(methyl)amino]-2-oxopropyl]-2-[3-[[(2Z)-2-hydroxyimino-3-iminobutyl]amino]-2-oxopyrazin-1-yl]butanamide (CID 142039067) is N-[3-[cyclohexyl(methyl)amino]-2-oxopropyl]-2-[3-[[(2Z)-2-hydroxyimino-3-iminobutyl]amino]-2-oxopyrazin-1-yl]butanamide.
What is the SMILES notation for N-[3-[cyclohexyl(methyl)amino]-2-oxopropyl]-2-[3-[[(2Z)-2-hydroxyimino-3-iminobutyl]amino]-2-oxopyrazin-1-yl]butanamide?
The canonical SMILES for N-[3-[cyclohexyl(methyl)amino]-2-oxopropyl]-2-[3-[[(2Z)-2-hydroxyimino-3-iminobutyl]amino]-2-oxopyrazin-1-yl]butanamide is [H]/N=C(C)/C(CNc1nccn(C(CC)C(=O)NCC(=O)CN(C)C2CCCCC2)c1=O)=N\O.
What is the InChIKey of N-[3-[cyclohexyl(methyl)amino]-2-oxopropyl]-2-[3-[[(2Z)-2-hydroxyimino-3-iminobutyl]amino]-2-oxopyrazin-1-yl]butanamide?
The InChIKey is CVNOPODOOSNPQR-SPOPVUIMSA-N. The full InChI is InChI=1S/C22H35N7O4/c1-4-19(21(31)26-12-17(30)14-28(3)16-8-6-5-7-9-16)29-11-10-24-20(22(29)32)25-13-18(27-33)15(2)23/h10-11,16,19,23,33H,4-9,12-14H2,1-3H3,(H,24,25)(H,26,31)/b23-15+,27-18-.
What are the key properties of N-[3-[cyclohexyl(methyl)amino]-2-oxopropyl]-2-[3-[[(2Z)-2-hydroxyimino-3-iminobutyl]amino]-2-oxopyrazin-1-yl]butanamide?
N-[3-[cyclohexyl(methyl)amino]-2-oxopropyl]-2-[3-[[(2Z)-2-hydroxyimino-3-iminobutyl]amino]-2-oxopyrazin-1-yl]butanamide has a molecular weight of 461.57 g/mol, XLogP of 1.43, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexyl(methyl)amino]-2-oxopropyl]-2-[3-[[(2Z)-2-hydroxyimino-3-iminobutyl]amino]-2-oxopyrazin-1-yl]butanamide is sourced from PubChem (CID 142039067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).