N-ethyl-3-(pyrimidin-4-ylmethylamino)benzamide

C14H16N4O — CID 62760777

IUPACN-ethyl-3-(pyrimidin-4-ylmethylamino)benzamide
SMILESCCNC(=O)c1cccc(NCc2ccncn2)c1
InChIInChI=1S/C14H16N4O/c1-2-16-14(19)11-4-3-5-12(8-11)17-9-13-6-7-15-10-18-13/h3-8,10,17H,2,9H2,1H3,(H,16,19)
InChIKeyBSCVDGQAGKNMRC-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.84
Rot. Bonds5

About N-ethyl-3-(pyrimidin-4-ylmethylamino)benzamide

N-ethyl-3-(pyrimidin-4-ylmethylamino)benzamide (PubChem CID 62760777) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-ethyl-3-(pyrimidin-4-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-3-(pyrimidin-4-ylmethylamino)benzamide
PubChem CID62760777
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-ethyl-3-(pyrimidin-4-ylmethylamino)benzamide
SMILESCCNC(=O)c1cccc(NCc2ccncn2)c1
InChIInChI=1S/C14H16N4O/c1-2-16-14(19)11-4-3-5-12(8-11)17-9-13-6-7-15-10-18-13/h3-8,10,17H,2,9H2,1H3,(H,16,19)
InChIKeyBSCVDGQAGKNMRC-UHFFFAOYSA-N
XLogP1.84
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methyl-3-(pyrimidin-4-ylmethylamino)benzamide
CID 62748907
N-ethyl-3-(pyrimidin-5-ylmethylamino)benzamide
CID 62758960
N-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide
CID 54976609
2-methoxy-N-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide
CID 62748713
N-ethyl-3-(1H-pyrazol-5-ylmethylamino)benzamide
CID 43680780
3-acetamido-N-ethylbenzamide
CID 17230670
N-ethyl-3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]benzamide
CID 66269230
N-ethyl-3-(2-methylpropylamino)benzamide
CID 43680721
1-N-ethyl-3-N-pyridin-4-ylbenzene-1,3-dicarboxamide
CID 70972162
N-ethyl-3-(prop-2-ynylamino)benzamide
CID 60681699
N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide
CID 17057983
2-chloro-N-methyl-5-(pyrimidin-4-ylmethylamino)benzamide
CID 55109869

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(pyrimidin-4-ylmethylamino)benzamide?
The IUPAC name of N-ethyl-3-(pyrimidin-4-ylmethylamino)benzamide (CID 62760777) is N-ethyl-3-(pyrimidin-4-ylmethylamino)benzamide.
What is the SMILES notation for N-ethyl-3-(pyrimidin-4-ylmethylamino)benzamide?
The canonical SMILES for N-ethyl-3-(pyrimidin-4-ylmethylamino)benzamide is CCNC(=O)c1cccc(NCc2ccncn2)c1.
What is the InChIKey of N-ethyl-3-(pyrimidin-4-ylmethylamino)benzamide?
The InChIKey is BSCVDGQAGKNMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-16-14(19)11-4-3-5-12(8-11)17-9-13-6-7-15-10-18-13/h3-8,10,17H,2,9H2,1H3,(H,16,19).
What are the key properties of N-ethyl-3-(pyrimidin-4-ylmethylamino)benzamide?
N-ethyl-3-(pyrimidin-4-ylmethylamino)benzamide has a molecular weight of 256.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(pyrimidin-4-ylmethylamino)benzamide is sourced from PubChem (CID 62760777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).