3-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide

C20H27N5O — CID 133297097

IUPAC3-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(CNc2cc(N3CCCCC3)ncn2)c1
InChIInChI=1S/C20H27N5O/c1-2-9-21-20(26)17-8-6-7-16(12-17)14-22-18-13-19(24-15-23-18)25-10-4-3-5-11-25/h6-8,12-13,15H,2-5,9-11,14H2,1H3,(H,21,26)(H,22,23,24)
InChIKeyDFONYGFWTGGADV-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.22
Rot. Bonds7

About 3-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide

3-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide (PubChem CID 133297097) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide
PubChem CID133297097
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name3-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(CNc2cc(N3CCCCC3)ncn2)c1
InChIInChI=1S/C20H27N5O/c1-2-9-21-20(26)17-8-6-7-16(12-17)14-22-18-13-19(24-15-23-18)25-10-4-3-5-11-25/h6-8,12-13,15H,2-5,9-11,14H2,1H3,(H,21,26)(H,22,23,24)
InChIKeyDFONYGFWTGGADV-UHFFFAOYSA-N
XLogP3.22
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(6-methylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide
CID 133297094
N-butyl-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53009839
N-[(3-bromophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133304157
N-[2-oxo-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 90544511
6-pyrrolidin-1-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 122282471
N-[(3-methoxyphenyl)methyl]-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53098915
6-ethoxy-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyridine-3-carboxamide
CID 122327671
3-chloro-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544619
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297513
3-bromo-N-[2-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]ethyl]benzamide
CID 122326664
N-[(4-propan-2-ylphenyl)methyl]-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53099037
N-[(4-chlorophenyl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 112856024

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide?
The IUPAC name of 3-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide (CID 133297097) is 3-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide.
What is the SMILES notation for 3-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide?
The canonical SMILES for 3-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide is CCCNC(=O)c1cccc(CNc2cc(N3CCCCC3)ncn2)c1.
What is the InChIKey of 3-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide?
The InChIKey is DFONYGFWTGGADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-2-9-21-20(26)17-8-6-7-16(12-17)14-22-18-13-19(24-15-23-18)25-10-4-3-5-11-25/h6-8,12-13,15H,2-5,9-11,14H2,1H3,(H,21,26)(H,22,23,24).
What are the key properties of 3-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide?
3-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide has a molecular weight of 353.47 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide is sourced from PubChem (CID 133297097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).