(2R)-N-cyclopentyl-2-[[5-[3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]propanamide

C20H29N5O4 — CID 90839485

IUPAC(2R)-N-cyclopentyl-2-[[5-[3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]propanamide
SMILESC[C@@H](Nc1cnc(C=CC(=O)NOC2CCCCO2)cn1)C(=O)NC1CCCC1
InChIInChI=1S/C20H29N5O4/c1-14(20(27)24-15-6-2-3-7-15)23-17-13-21-16(12-22-17)9-10-18(26)25-29-19-8-4-5-11-28-19/h9-10,12-15,19H,2-8,11H2,1H3,(H,22,23)(H,24,27)(H,25,26)/t14-,19?/m1/s1
InChIKeyYMEOAPTYMVAKER-MJTSIZKDSA-N
MW403.48 g/mol
LogP1.92
Rot. Bonds8

About (2R)-N-cyclopentyl-2-[[5-[3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]propanamide

(2R)-N-cyclopentyl-2-[[5-[3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]propanamide (PubChem CID 90839485) has the molecular formula C20H29N5O4 and a molecular weight of 403.48 g/mol. Its IUPAC name is (2R)-N-cyclopentyl-2-[[5-[3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopentyl-2-[[5-[3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]propanamide
PubChem CID90839485
Molecular FormulaC20H29N5O4
Molecular Weight403.48 g/mol
Exact Mass403.22
IUPAC Name(2R)-N-cyclopentyl-2-[[5-[3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]propanamide
SMILESC[C@@H](Nc1cnc(C=CC(=O)NOC2CCCCO2)cn1)C(=O)NC1CCCC1
InChIInChI=1S/C20H29N5O4/c1-14(20(27)24-15-6-2-3-7-15)23-17-13-21-16(12-22-17)9-10-18(26)25-29-19-8-4-5-11-28-19/h9-10,12-15,19H,2-8,11H2,1H3,(H,22,23)(H,24,27)(H,25,26)/t14-,19?/m1/s1
InChIKeyYMEOAPTYMVAKER-MJTSIZKDSA-N
XLogP1.92
TPSA114.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R)-N-cyclopentyl-2-[[5-[3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]propanamide 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)-2-[[5-[(E)-3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]propyl]cyclohexanecarboxamide
CID 59242176
(2R)-3-methyl-2-[[5-[(E)-3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]-N-[(1S)-1-phenylethyl]butanamide
CID 59242341
(2R)-N-benzyl-4-methyl-2-[[5-[3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]pentanamide
CID 91027721
(2R)-3-methyl-2-[[5-[(E)-3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]-N-(2-phenylethyl)butanamide
CID 59242384
(2R)-N'-benzyl-N-(cyclohexylmethyl)-N'-methyl-2-[[5-[(E)-3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]butanediamide
CID 59242347
(E)-3-[5-[[(3R)-1-(2-cyclohexylethyl)piperidin-3-yl]amino]pyrazin-2-yl]-N-(oxan-2-yloxy)prop-2-enamide
CID 87280616
(E)-3-[5-[[(3R)-1-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-yl]amino]pyrazin-2-yl]-N-(oxan-2-yloxy)prop-2-enamide
CID 86603808
(E)-3-[5-[[1-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidin-3-yl]amino]pyrazin-2-yl]-N-(oxan-2-yloxy)prop-2-enamide
CID 87716559
(2R)-N-cyclohexyl-2-[[5-[3-(hydroxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]-3-methylbutanamide
CID 136651794
3-[5-[[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]pyrazin-2-yl]-N-(oxan-2-yloxy)prop-2-enamide
CID 91317550
(E)-3-[5-[[(3R)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]amino]pyrazin-2-yl]-N-(oxan-2-yloxy)prop-2-enamide
CID 87637718
3-[5-[3-[4-(chloromethyl)phenyl]-3-oxoprop-1-enyl]-2-pyridinyl]-N-(oxan-2-yloxy)prop-2-enamide
CID 91196490

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopentyl-2-[[5-[3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]propanamide?
The IUPAC name of (2R)-N-cyclopentyl-2-[[5-[3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]propanamide (CID 90839485) is (2R)-N-cyclopentyl-2-[[5-[3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]propanamide.
What is the SMILES notation for (2R)-N-cyclopentyl-2-[[5-[3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]propanamide?
The canonical SMILES for (2R)-N-cyclopentyl-2-[[5-[3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]propanamide is C[C@@H](Nc1cnc(C=CC(=O)NOC2CCCCO2)cn1)C(=O)NC1CCCC1.
What is the InChIKey of (2R)-N-cyclopentyl-2-[[5-[3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]propanamide?
The InChIKey is YMEOAPTYMVAKER-MJTSIZKDSA-N. The full InChI is InChI=1S/C20H29N5O4/c1-14(20(27)24-15-6-2-3-7-15)23-17-13-21-16(12-22-17)9-10-18(26)25-29-19-8-4-5-11-28-19/h9-10,12-15,19H,2-8,11H2,1H3,(H,22,23)(H,24,27)(H,25,26)/t14-,19?/m1/s1.
What are the key properties of (2R)-N-cyclopentyl-2-[[5-[3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]propanamide?
(2R)-N-cyclopentyl-2-[[5-[3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]propanamide has a molecular weight of 403.48 g/mol, XLogP of 1.92, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopentyl-2-[[5-[3-(oxan-2-yloxyamino)-3-oxoprop-1-enyl]pyrazin-2-yl]amino]propanamide is sourced from PubChem (CID 90839485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).