N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)pyrimidin-5-yl]benzamide

C19H19N5O — CID 3233031

IUPACN,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)pyrimidin-5-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2cncnc2NCc2cccnc2)cc1
InChIInChI=1S/C19H19N5O/c1-24(2)19(25)16-7-5-15(6-8-16)17-12-21-13-23-18(17)22-11-14-4-3-9-20-10-14/h3-10,12-13H,11H2,1-2H3,(H,21,22,23)
InChIKeyHINFEIGTUVHTQP-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.85
Rot. Bonds5

About N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)pyrimidin-5-yl]benzamide

N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)pyrimidin-5-yl]benzamide (PubChem CID 3233031) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)pyrimidin-5-yl]benzamide
PubChem CID3233031
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)pyrimidin-5-yl]benzamide
SMILESCN(C)C(=O)c1ccc(-c2cncnc2NCc2cccnc2)cc1
InChIInChI=1S/C19H19N5O/c1-24(2)19(25)16-7-5-15(6-8-16)17-12-21-13-23-18(17)22-11-14-4-3-9-20-10-14/h3-10,12-13H,11H2,1-2H3,(H,21,22,23)
InChIKeyHINFEIGTUVHTQP-UHFFFAOYSA-N
XLogP2.85
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)pyrimidin-5-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)pyrimidin-5-yl]benzamide (CID 3233031) is N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)pyrimidin-5-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)pyrimidin-5-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)pyrimidin-5-yl]benzamide is CN(C)C(=O)c1ccc(-c2cncnc2NCc2cccnc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)pyrimidin-5-yl]benzamide?
The InChIKey is HINFEIGTUVHTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-24(2)19(25)16-7-5-15(6-8-16)17-12-21-13-23-18(17)22-11-14-4-3-9-20-10-14/h3-10,12-13H,11H2,1-2H3,(H,21,22,23).
What are the key properties of N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)pyrimidin-5-yl]benzamide?
N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)pyrimidin-5-yl]benzamide has a molecular weight of 333.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(pyridin-3-ylmethylamino)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 3233031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).