N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide

C16H18N4O — CID 72717998

IUPACN-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
SMILESO=C(NCc1nccc(N2CCCC2)n1)c1ccccc1
InChIInChI=1S/C16H18N4O/c21-16(13-6-2-1-3-7-13)18-12-14-17-9-8-15(19-14)20-10-4-5-11-20/h1-3,6-9H,4-5,10-12H2,(H,18,21)
InChIKeyKSBJQVVARCDXGD-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.01
Rot. Bonds4

About N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide

N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide (PubChem CID 72717998) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
PubChem CID72717998
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC NameN-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide
SMILESO=C(NCc1nccc(N2CCCC2)n1)c1ccccc1
InChIInChI=1S/C16H18N4O/c21-16(13-6-2-1-3-7-13)18-12-14-17-9-8-15(19-14)20-10-4-5-11-20/h1-3,6-9H,4-5,10-12H2,(H,18,21)
InChIKeyKSBJQVVARCDXGD-UHFFFAOYSA-N
XLogP2.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 91966623
4-methylsulfanyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318570
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-4-(trifluoromethoxy)benzamide
CID 122317464
5-bromo-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122317411
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 122317397
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-1-benzothiophene-2-carboxamide
CID 122317482
6-methoxy-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]pyridine-3-carboxamide
CID 122317533
2,2-diphenyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]acetamide
CID 91966645
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 121137119
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-4-phenoxybenzamide
CID 122318793
3-fluoro-4-methyl-N-[(4-piperidin-1-ylpyrimidin-2-yl)methyl]benzamide
CID 122318546
2,2-dimethyl-N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]propanamide
CID 72717995

Frequently Asked Questions

What is the IUPAC name of N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide?
The IUPAC name of N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide (CID 72717998) is N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide.
What is the SMILES notation for N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide?
The canonical SMILES for N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide is O=C(NCc1nccc(N2CCCC2)n1)c1ccccc1.
What is the InChIKey of N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide?
The InChIKey is KSBJQVVARCDXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16(13-6-2-1-3-7-13)18-12-14-17-9-8-15(19-14)20-10-4-5-11-20/h1-3,6-9H,4-5,10-12H2,(H,18,21).
What are the key properties of N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide?
N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide has a molecular weight of 282.35 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pyrrolidin-1-ylpyrimidin-2-yl)methyl]benzamide is sourced from PubChem (CID 72717998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).