2-methyl-N-[(1S)-1-[1-(pyrimidin-2-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]propanamide

C17H26N4O — CID 95191536

IUPAC2-methyl-N-[(1S)-1-[1-(pyrimidin-2-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]propanamide
SMILESCC[C@H](NC(=O)C(C)C)C1=CCCN(Cc2ncccn2)C1
InChIInChI=1S/C17H26N4O/c1-4-15(20-17(22)13(2)3)14-7-5-10-21(11-14)12-16-18-8-6-9-19-16/h6-9,13,15H,4-5,10-12H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyXEIUCZGNDLKUMJ-HNNXBMFYSA-N
MW302.42 g/mol
LogP2.16
Rot. Bonds6

About 2-methyl-N-[(1S)-1-[1-(pyrimidin-2-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]propanamide

2-methyl-N-[(1S)-1-[1-(pyrimidin-2-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]propanamide (PubChem CID 95191536) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-[1-(pyrimidin-2-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-[1-(pyrimidin-2-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]propanamide
PubChem CID95191536
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-methyl-N-[(1S)-1-[1-(pyrimidin-2-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]propanamide
SMILESCC[C@H](NC(=O)C(C)C)C1=CCCN(Cc2ncccn2)C1
InChIInChI=1S/C17H26N4O/c1-4-15(20-17(22)13(2)3)14-7-5-10-21(11-14)12-16-18-8-6-9-19-16/h6-9,13,15H,4-5,10-12H2,1-3H3,(H,20,22)/t15-/m0/s1
InChIKeyXEIUCZGNDLKUMJ-HNNXBMFYSA-N
XLogP2.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-N-[(1S)-1-[1-(pyrimidin-2-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]propanamide 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 2-methyl-N-[(1S)-1-[1-(pyrimidin-2-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]propanamide?
The IUPAC name of 2-methyl-N-[(1S)-1-[1-(pyrimidin-2-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]propanamide (CID 95191536) is 2-methyl-N-[(1S)-1-[1-(pyrimidin-2-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-[1-(pyrimidin-2-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]propanamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-[1-(pyrimidin-2-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]propanamide is CC[C@H](NC(=O)C(C)C)C1=CCCN(Cc2ncccn2)C1.
What is the InChIKey of 2-methyl-N-[(1S)-1-[1-(pyrimidin-2-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]propanamide?
The InChIKey is XEIUCZGNDLKUMJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-4-15(20-17(22)13(2)3)14-7-5-10-21(11-14)12-16-18-8-6-9-19-16/h6-9,13,15H,4-5,10-12H2,1-3H3,(H,20,22)/t15-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-[1-(pyrimidin-2-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]propanamide?
2-methyl-N-[(1S)-1-[1-(pyrimidin-2-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]propanamide has a molecular weight of 302.42 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-[1-(pyrimidin-2-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]propyl]propanamide is sourced from PubChem (CID 95191536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).