N-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide

C19H24N4O — CID 53009839

IUPACN-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
SMILESCCCCNC(=O)c1cccc(-c2cc(N3CCCC3)ncn2)c1
InChIInChI=1S/C19H24N4O/c1-2-3-9-20-19(24)16-8-6-7-15(12-16)17-13-18(22-14-21-17)23-10-4-5-11-23/h6-8,12-14H,2-5,9-11H2,1H3,(H,20,24)
InChIKeyWRACIMKPAOIAGD-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.27
Rot. Bonds6

About N-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide

N-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide (PubChem CID 53009839) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
PubChem CID53009839
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
SMILESCCCCNC(=O)c1cccc(-c2cc(N3CCCC3)ncn2)c1
InChIInChI=1S/C19H24N4O/c1-2-3-9-20-19(24)16-8-6-7-15(12-16)17-13-18(22-14-21-17)23-10-4-5-11-23/h6-8,12-14H,2-5,9-11H2,1H3,(H,20,24)
InChIKeyWRACIMKPAOIAGD-UHFFFAOYSA-N
XLogP3.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53009848
N-butyl-1-[6-(3-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53062056
N-[(4-propan-2-ylphenyl)methyl]-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53099037
3-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide
CID 133297097
N-(3-chlorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53099012
N-hexyl-1-(6-phenylpyrimidin-4-yl)piperidine-4-carboxamide
CID 53061994
N-[3-(2-methylpiperidin-1-yl)propyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098882
N-(3-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53099047
3-(6-morpholin-4-ylpyridazin-3-yl)-N-pentylbenzamide
CID 50816215
N-[(4-methylphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098874
N-butyl-2-phenyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 112852282
3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide
CID 118760625

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide?
The IUPAC name of N-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide (CID 53009839) is N-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for N-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for N-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide is CCCCNC(=O)c1cccc(-c2cc(N3CCCC3)ncn2)c1.
What is the InChIKey of N-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide?
The InChIKey is WRACIMKPAOIAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-2-3-9-20-19(24)16-8-6-7-15(12-16)17-13-18(22-14-21-17)23-10-4-5-11-23/h6-8,12-14H,2-5,9-11H2,1H3,(H,20,24).
What are the key properties of N-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide?
N-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide has a molecular weight of 324.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 53009839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).