N-ethyl-3-(pyrimidin-5-ylmethylamino)benzamide

C14H16N4O — CID 62758960

IUPACN-ethyl-3-(pyrimidin-5-ylmethylamino)benzamide
SMILESCCNC(=O)c1cccc(NCc2cncnc2)c1
InChIInChI=1S/C14H16N4O/c1-2-17-14(19)12-4-3-5-13(6-12)18-9-11-7-15-10-16-8-11/h3-8,10,18H,2,9H2,1H3,(H,17,19)
InChIKeyBJDWUFKAOQDPEK-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.84
Rot. Bonds5

About N-ethyl-3-(pyrimidin-5-ylmethylamino)benzamide

N-ethyl-3-(pyrimidin-5-ylmethylamino)benzamide (PubChem CID 62758960) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-ethyl-3-(pyrimidin-5-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-ethyl-3-(pyrimidin-5-ylmethylamino)benzamide
PubChem CID62758960
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-ethyl-3-(pyrimidin-5-ylmethylamino)benzamide
SMILESCCNC(=O)c1cccc(NCc2cncnc2)c1
InChIInChI=1S/C14H16N4O/c1-2-17-14(19)12-4-3-5-13(6-12)18-9-11-7-15-10-16-8-11/h3-8,10,18H,2,9H2,1H3,(H,17,19)
InChIKeyBJDWUFKAOQDPEK-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

methyl 3-(pyrimidin-5-ylmethylamino)benzoate
CID 62758580
N-ethyl-3-(pyrimidin-4-ylmethylamino)benzamide
CID 62760777
N-[3-(pyrimidin-5-ylmethylamino)phenyl]acetamide
CID 55110274
3-[(3-chloro-4-methylphenyl)methylamino]-N-ethylbenzamide
CID 106816302
3-[(5-bromothiophen-3-yl)methylamino]-N-ethylbenzamide
CID 43680774
N-ethyl-3-(1H-pyrazol-5-ylmethylamino)benzamide
CID 43680780
N-ethyl-3-(prop-2-ynylamino)benzamide
CID 60681699
N-ethyl-3-(2-methylpropylamino)benzamide
CID 43680721
N-ethyl-3-(1H-imidazol-2-ylmethylamino)benzamide
CID 54976609
methyl N-[3-(pyrimidin-5-ylmethylamino)phenyl]carbamate
CID 55109608
3-acetamido-N-ethylbenzamide
CID 17230670
N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide
CID 17057983

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(pyrimidin-5-ylmethylamino)benzamide?
The IUPAC name of N-ethyl-3-(pyrimidin-5-ylmethylamino)benzamide (CID 62758960) is N-ethyl-3-(pyrimidin-5-ylmethylamino)benzamide.
What is the SMILES notation for N-ethyl-3-(pyrimidin-5-ylmethylamino)benzamide?
The canonical SMILES for N-ethyl-3-(pyrimidin-5-ylmethylamino)benzamide is CCNC(=O)c1cccc(NCc2cncnc2)c1.
What is the InChIKey of N-ethyl-3-(pyrimidin-5-ylmethylamino)benzamide?
The InChIKey is BJDWUFKAOQDPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-17-14(19)12-4-3-5-13(6-12)18-9-11-7-15-10-16-8-11/h3-8,10,18H,2,9H2,1H3,(H,17,19).
What are the key properties of N-ethyl-3-(pyrimidin-5-ylmethylamino)benzamide?
N-ethyl-3-(pyrimidin-5-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-5-ylmethylamino)benzamide is sourced from PubChem (CID 62758960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).