4-amino-N-[(E)-1-[methyl-[3-oxo-3-(4-oxopentylamino)prop-1-en-2-yl]amino]prop-1-en-2-yl]-2,3-dihydro-1H-pyrrole-2-carboxamide

C17H27N5O3 — CID 89207246

IUPAC4-amino-N-[(E)-1-[methyl-[3-oxo-3-(4-oxopentylamino)prop-1-en-2-yl]amino]prop-1-en-2-yl]-2,3-dihydro-1H-pyrrole-2-carboxamide
SMILESC=C(C(=O)NCCCC(C)=O)N(C)/C=C(\C)NC(=O)C1CC(N)=CN1
InChIInChI=1S/C17H27N5O3/c1-11(21-17(25)15-8-14(18)9-20-15)10-22(4)13(3)16(24)19-7-5-6-12(2)23/h9-10,15,20H,3,5-8,18H2,1-2,4H3,(H,19,24)(H,21,25)/b11-10+
InChIKeyCRWOJGDLISWGTB-ZHACJKMWSA-N
MW349.44 g/mol
LogP0.06
Rot. Bonds9

About 4-amino-N-[(E)-1-[methyl-[3-oxo-3-(4-oxopentylamino)prop-1-en-2-yl]amino]prop-1-en-2-yl]-2,3-dihydro-1H-pyrrole-2-carboxamide

4-amino-N-[(E)-1-[methyl-[3-oxo-3-(4-oxopentylamino)prop-1-en-2-yl]amino]prop-1-en-2-yl]-2,3-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 89207246) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 4-amino-N-[(E)-1-[methyl-[3-oxo-3-(4-oxopentylamino)prop-1-en-2-yl]amino]prop-1-en-2-yl]-2,3-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(E)-1-[methyl-[3-oxo-3-(4-oxopentylamino)prop-1-en-2-yl]amino]prop-1-en-2-yl]-2,3-dihydro-1H-pyrrole-2-carboxamide
PubChem CID89207246
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name4-amino-N-[(E)-1-[methyl-[3-oxo-3-(4-oxopentylamino)prop-1-en-2-yl]amino]prop-1-en-2-yl]-2,3-dihydro-1H-pyrrole-2-carboxamide
SMILESC=C(C(=O)NCCCC(C)=O)N(C)/C=C(\C)NC(=O)C1CC(N)=CN1
InChIInChI=1S/C17H27N5O3/c1-11(21-17(25)15-8-14(18)9-20-15)10-22(4)13(3)16(24)19-7-5-6-12(2)23/h9-10,15,20H,3,5-8,18H2,1-2,4H3,(H,19,24)(H,21,25)/b11-10+
InChIKeyCRWOJGDLISWGTB-ZHACJKMWSA-N
XLogP0.06
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-amino-N-[(E)-1-[methyl-[3-oxo-3-(4-oxopentylamino)prop-1-en-2-yl]amino]prop-1-en-2-yl]-2,3-dihydro-1H-pyrrole-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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(E)-1-[methyl-[3-oxo-3-(4-oxopentylamino)prop-1-en-2-yl]amino]prop-1-en-2-yl]-2,3-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[(E)-1-[methyl-[3-oxo-3-(4-oxopentylamino)prop-1-en-2-yl]amino]prop-1-en-2-yl]-2,3-dihydro-1H-pyrrole-2-carboxamide (CID 89207246) is 4-amino-N-[(E)-1-[methyl-[3-oxo-3-(4-oxopentylamino)prop-1-en-2-yl]amino]prop-1-en-2-yl]-2,3-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[(E)-1-[methyl-[3-oxo-3-(4-oxopentylamino)prop-1-en-2-yl]amino]prop-1-en-2-yl]-2,3-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[(E)-1-[methyl-[3-oxo-3-(4-oxopentylamino)prop-1-en-2-yl]amino]prop-1-en-2-yl]-2,3-dihydro-1H-pyrrole-2-carboxamide is C=C(C(=O)NCCCC(C)=O)N(C)/C=C(\C)NC(=O)C1CC(N)=CN1.
What is the InChIKey of 4-amino-N-[(E)-1-[methyl-[3-oxo-3-(4-oxopentylamino)prop-1-en-2-yl]amino]prop-1-en-2-yl]-2,3-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is CRWOJGDLISWGTB-ZHACJKMWSA-N. The full InChI is InChI=1S/C17H27N5O3/c1-11(21-17(25)15-8-14(18)9-20-15)10-22(4)13(3)16(24)19-7-5-6-12(2)23/h9-10,15,20H,3,5-8,18H2,1-2,4H3,(H,19,24)(H,21,25)/b11-10+.
What are the key properties of 4-amino-N-[(E)-1-[methyl-[3-oxo-3-(4-oxopentylamino)prop-1-en-2-yl]amino]prop-1-en-2-yl]-2,3-dihydro-1H-pyrrole-2-carboxamide?
4-amino-N-[(E)-1-[methyl-[3-oxo-3-(4-oxopentylamino)prop-1-en-2-yl]amino]prop-1-en-2-yl]-2,3-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 0.06, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(E)-1-[methyl-[3-oxo-3-(4-oxopentylamino)prop-1-en-2-yl]amino]prop-1-en-2-yl]-2,3-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 89207246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).