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

C19H24N4O — CID 53009848

IUPACN-tert-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
SMILESCC(C)(C)NC(=O)c1cccc(-c2cc(N3CCCC3)ncn2)c1
InChIInChI=1S/C19H24N4O/c1-19(2,3)22-18(24)15-8-6-7-14(11-15)16-12-17(21-13-20-16)23-9-4-5-10-23/h6-8,11-13H,4-5,9-10H2,1-3H3,(H,22,24)
InChIKeyGYWUAUQOGYHTKU-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.27
Rot. Bonds3

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

N-tert-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide (PubChem CID 53009848) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-tert-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
PubChem CID53009848
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-tert-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
SMILESCC(C)(C)NC(=O)c1cccc(-c2cc(N3CCCC3)ncn2)c1
InChIInChI=1S/C19H24N4O/c1-19(2,3)22-18(24)15-8-6-7-14(11-15)16-12-17(21-13-20-16)23-9-4-5-10-23/h6-8,11-13H,4-5,9-10H2,1-3H3,(H,22,24)
InChIKeyGYWUAUQOGYHTKU-UHFFFAOYSA-N
XLogP3.27
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

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Related Compounds

N-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53009839
N-(3-chlorophenyl)-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53099012
N-(3-fluorophenyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53099047
N-[(4-propan-2-ylphenyl)methyl]-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53099037
N-tert-butyl-3-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide
CID 53009873
N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168055
N-tert-butyl-3-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 50783573
3-N-tert-butyl-1-N-(4-pyrrolidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109056053
N-(3,5-dimethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098854
N-[(4-methylphenyl)methyl]-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098874
N-tert-butyl-3-(piperidine-1-carbonyl)benzamide
CID 109052027
N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide
CID 110486270

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide?
The IUPAC name of N-tert-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide (CID 53009848) is N-tert-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for N-tert-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for N-tert-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide is CC(C)(C)NC(=O)c1cccc(-c2cc(N3CCCC3)ncn2)c1.
What is the InChIKey of N-tert-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide?
The InChIKey is GYWUAUQOGYHTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-19(2,3)22-18(24)15-8-6-7-14(11-15)16-12-17(21-13-20-16)23-9-4-5-10-23/h6-8,11-13H,4-5,9-10H2,1-3H3,(H,22,24).
What are the key properties of N-tert-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide?
N-tert-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide has a molecular weight of 324.43 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 53009848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).