N-[3-(dimethylamino)propyl]-N-(2-pyridin-2-ylpyrimidin-5-yl)benzamide

C21H23N5O — CID 142517457

IUPACN-[3-(dimethylamino)propyl]-N-(2-pyridin-2-ylpyrimidin-5-yl)benzamide
SMILESCN(C)CCCN(C(=O)c1ccccc1)c1cnc(-c2ccccn2)nc1
InChIInChI=1S/C21H23N5O/c1-25(2)13-8-14-26(21(27)17-9-4-3-5-10-17)18-15-23-20(24-16-18)19-11-6-7-12-22-19/h3-7,9-12,15-16H,8,13-14H2,1-2H3
InChIKeyHVZZFQBOVBZVKZ-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.14
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-N-(2-pyridin-2-ylpyrimidin-5-yl)benzamide

N-[3-(dimethylamino)propyl]-N-(2-pyridin-2-ylpyrimidin-5-yl)benzamide (PubChem CID 142517457) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-(2-pyridin-2-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-(2-pyridin-2-ylpyrimidin-5-yl)benzamide
PubChem CID142517457
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[3-(dimethylamino)propyl]-N-(2-pyridin-2-ylpyrimidin-5-yl)benzamide
SMILESCN(C)CCCN(C(=O)c1ccccc1)c1cnc(-c2ccccn2)nc1
InChIInChI=1S/C21H23N5O/c1-25(2)13-8-14-26(21(27)17-9-4-3-5-10-17)18-15-23-20(24-16-18)19-11-6-7-12-22-19/h3-7,9-12,15-16H,8,13-14H2,1-2H3
InChIKeyHVZZFQBOVBZVKZ-UHFFFAOYSA-N
XLogP3.14
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-(2-pyridin-2-ylpyrimidin-5-yl)benzamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-(2-pyridin-2-ylpyrimidin-5-yl)benzamide (CID 142517457) is N-[3-(dimethylamino)propyl]-N-(2-pyridin-2-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-(2-pyridin-2-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-(2-pyridin-2-ylpyrimidin-5-yl)benzamide is CN(C)CCCN(C(=O)c1ccccc1)c1cnc(-c2ccccn2)nc1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-(2-pyridin-2-ylpyrimidin-5-yl)benzamide?
The InChIKey is HVZZFQBOVBZVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-25(2)13-8-14-26(21(27)17-9-4-3-5-10-17)18-15-23-20(24-16-18)19-11-6-7-12-22-19/h3-7,9-12,15-16H,8,13-14H2,1-2H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-(2-pyridin-2-ylpyrimidin-5-yl)benzamide?
N-[3-(dimethylamino)propyl]-N-(2-pyridin-2-ylpyrimidin-5-yl)benzamide has a molecular weight of 361.45 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-(2-pyridin-2-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 142517457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).