N-methyl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide

C17H20N4O — CID 134799284

IUPACN-methyl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1Cc1ccc(-c2cncnc2)cc1
InChIInChI=1S/C17H20N4O/c1-18-17(22)16-3-2-8-21(16)11-13-4-6-14(7-5-13)15-9-19-12-20-10-15/h4-7,9-10,12,16H,2-3,8,11H2,1H3,(H,18,22)
InChIKeyUXZWTQDIGXFANI-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.85
Rot. Bonds4

About N-methyl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide

N-methyl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 134799284) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-methyl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID134799284
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-methyl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1Cc1ccc(-c2cncnc2)cc1
InChIInChI=1S/C17H20N4O/c1-18-17(22)16-3-2-8-21(16)11-13-4-6-14(7-5-13)15-9-19-12-20-10-15/h4-7,9-10,12,16H,2-3,8,11H2,1H3,(H,18,22)
InChIKeyUXZWTQDIGXFANI-UHFFFAOYSA-N
XLogP1.85
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-phenylpropyl)-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 134803452
1-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 47377078
N-(3-propan-2-yloxypropyl)-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 134799012
N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 134801397
1-[(6-amino-3-pyridinyl)methyl]-N-methylpiperidine-2-carboxamide
CID 55046708
1-[(6-chloropyridazin-3-yl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 104513621
1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 134800141
N-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 86860831
1-[(3-bromo-4-hydroxyphenyl)methyl]-N-methylpiperidine-2-carboxamide
CID 82978718
N-(2,2-difluoroethyl)-1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 134797773
1-cyclopentyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-3-yl]urea
CID 134799472
(2R)-N-methyl-1-propylpyrrolidine-2-carboxamide
CID 142459881

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-methyl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide (CID 134799284) is N-methyl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-methyl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide is CNC(=O)C1CCCN1Cc1ccc(-c2cncnc2)cc1.
What is the InChIKey of N-methyl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is UXZWTQDIGXFANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-18-17(22)16-3-2-8-21(16)11-13-4-6-14(7-5-13)15-9-19-12-20-10-15/h4-7,9-10,12,16H,2-3,8,11H2,1H3,(H,18,22).
What are the key properties of N-methyl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide?
N-methyl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(4-pyrimidin-5-ylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 134799284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).