N-[1-[2-formyl-2-[[methyl(pyrimidin-2-ylmethyl)amino]methyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide

C18H27N5O4 — CID 144678582

IUPACN-[1-[2-formyl-2-[[methyl(pyrimidin-2-ylmethyl)amino]methyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCCC1(C=O)CN(C)Cc1ncccn1)C(C)O
InChIInChI=1S/C18H27N5O4/c1-13(25)16(21-14(2)26)17(27)23-9-4-6-18(23,12-24)11-22(3)10-15-19-7-5-8-20-15/h5,7-8,12-13,16,25H,4,6,9-11H2,1-3H3,(H,21,26)
InChIKeyNYHRJTZAGAZTAX-UHFFFAOYSA-N
MW377.45 g/mol
LogP-0.65
Rot. Bonds8

About N-[1-[2-formyl-2-[[methyl(pyrimidin-2-ylmethyl)amino]methyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide

N-[1-[2-formyl-2-[[methyl(pyrimidin-2-ylmethyl)amino]methyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide (PubChem CID 144678582) has the molecular formula C18H27N5O4 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[1-[2-formyl-2-[[methyl(pyrimidin-2-ylmethyl)amino]methyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-formyl-2-[[methyl(pyrimidin-2-ylmethyl)amino]methyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide
PubChem CID144678582
Molecular FormulaC18H27N5O4
Molecular Weight377.45 g/mol
Exact Mass377.21
IUPAC NameN-[1-[2-formyl-2-[[methyl(pyrimidin-2-ylmethyl)amino]methyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCCC1(C=O)CN(C)Cc1ncccn1)C(C)O
InChIInChI=1S/C18H27N5O4/c1-13(25)16(21-14(2)26)17(27)23-9-4-6-18(23,12-24)11-22(3)10-15-19-7-5-8-20-15/h5,7-8,12-13,16,25H,4,6,9-11H2,1-3H3,(H,21,26)
InChIKeyNYHRJTZAGAZTAX-UHFFFAOYSA-N
XLogP-0.65
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[1-[2-formyl-2-[[methyl(pyrimidin-2-ylmethyl)amino]methyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide 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 N-[1-[2-formyl-2-[[methyl(pyrimidin-2-ylmethyl)amino]methyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide?
The IUPAC name of N-[1-[2-formyl-2-[[methyl(pyrimidin-2-ylmethyl)amino]methyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide (CID 144678582) is N-[1-[2-formyl-2-[[methyl(pyrimidin-2-ylmethyl)amino]methyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for N-[1-[2-formyl-2-[[methyl(pyrimidin-2-ylmethyl)amino]methyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide?
The canonical SMILES for N-[1-[2-formyl-2-[[methyl(pyrimidin-2-ylmethyl)amino]methyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide is CC(=O)NC(C(=O)N1CCCC1(C=O)CN(C)Cc1ncccn1)C(C)O.
What is the InChIKey of N-[1-[2-formyl-2-[[methyl(pyrimidin-2-ylmethyl)amino]methyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide?
The InChIKey is NYHRJTZAGAZTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O4/c1-13(25)16(21-14(2)26)17(27)23-9-4-6-18(23,12-24)11-22(3)10-15-19-7-5-8-20-15/h5,7-8,12-13,16,25H,4,6,9-11H2,1-3H3,(H,21,26).
What are the key properties of N-[1-[2-formyl-2-[[methyl(pyrimidin-2-ylmethyl)amino]methyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide?
N-[1-[2-formyl-2-[[methyl(pyrimidin-2-ylmethyl)amino]methyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide has a molecular weight of 377.45 g/mol, XLogP of -0.65, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-formyl-2-[[methyl(pyrimidin-2-ylmethyl)amino]methyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 144678582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).