4-(1-aminoethyl)-3-(benzylamino)-N-pyridin-4-ylbenzamide

C21H22N4O — CID 16665980

IUPAC4-(1-aminoethyl)-3-(benzylamino)-N-pyridin-4-ylbenzamide
SMILESCC(N)c1ccc(C(=O)Nc2ccncc2)cc1NCc1ccccc1
InChIInChI=1S/C21H22N4O/c1-15(22)19-8-7-17(21(26)25-18-9-11-23-12-10-18)13-20(19)24-14-16-5-3-2-4-6-16/h2-13,15,24H,14,22H2,1H3,(H,23,25,26)
InChIKeyTZCUWRINYLUNMB-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.97
Rot. Bonds6

About 4-(1-aminoethyl)-3-(benzylamino)-N-pyridin-4-ylbenzamide

4-(1-aminoethyl)-3-(benzylamino)-N-pyridin-4-ylbenzamide (PubChem CID 16665980) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-(1-aminoethyl)-3-(benzylamino)-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-3-(benzylamino)-N-pyridin-4-ylbenzamide
PubChem CID16665980
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name4-(1-aminoethyl)-3-(benzylamino)-N-pyridin-4-ylbenzamide
SMILESCC(N)c1ccc(C(=O)Nc2ccncc2)cc1NCc1ccccc1
InChIInChI=1S/C21H22N4O/c1-15(22)19-8-7-17(21(26)25-18-9-11-23-12-10-18)13-20(19)24-14-16-5-3-2-4-6-16/h2-13,15,24H,14,22H2,1H3,(H,23,25,26)
InChIKeyTZCUWRINYLUNMB-UHFFFAOYSA-N
XLogP3.97
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminoethyl)-3-(phenylcarbamothioylamino)-N-pyridin-4-ylbenzamide
CID 16665978
4-(1-aminoethyl)-3-(phenylcarbamoylamino)-N-pyridin-4-ylbenzamide
CID 16665979
2-phenylethyl 3-[2-(1-aminoethyl)-5-(pyridin-4-ylcarbamoyl)phenyl]benzoate
CID 71115628
4-(1-aminoethyl)-3-(3-aminopropyl)-N-pyridin-4-ylbenzamide
CID 16665899
4-(1-aminoethyl)-3-pyridin-3-yl-N-pyridin-4-ylbenzamide
CID 16666141
4-(1-aminoethyl)-3-(3-hydroxypropoxy)-N-pyridin-4-ylbenzamide
CID 16665897
4-(1-aminoethyl)-3-nitro-N-pyridin-4-ylbenzamide;dihydrochloride
CID 69077276
4-(1-aminoethyl)-3-(3-aminopropoxy)-N-pyridin-4-ylbenzamide;trihydrochloride
CID 69076885
4-[[[(2S)-2-amino-3-methylbutanoyl]amino]methyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119864763
3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 2993697
4-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 119864759
cobalt;N-pyridin-4-yl-4-[[[4-(pyridin-4-ylcarbamoyl)phenyl]methylamino]methyl]benzamide
CID 59994750

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-3-(benzylamino)-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-(1-aminoethyl)-3-(benzylamino)-N-pyridin-4-ylbenzamide (CID 16665980) is 4-(1-aminoethyl)-3-(benzylamino)-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-(1-aminoethyl)-3-(benzylamino)-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-(1-aminoethyl)-3-(benzylamino)-N-pyridin-4-ylbenzamide is CC(N)c1ccc(C(=O)Nc2ccncc2)cc1NCc1ccccc1.
What is the InChIKey of 4-(1-aminoethyl)-3-(benzylamino)-N-pyridin-4-ylbenzamide?
The InChIKey is TZCUWRINYLUNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-15(22)19-8-7-17(21(26)25-18-9-11-23-12-10-18)13-20(19)24-14-16-5-3-2-4-6-16/h2-13,15,24H,14,22H2,1H3,(H,23,25,26).
What are the key properties of 4-(1-aminoethyl)-3-(benzylamino)-N-pyridin-4-ylbenzamide?
4-(1-aminoethyl)-3-(benzylamino)-N-pyridin-4-ylbenzamide has a molecular weight of 346.43 g/mol, XLogP of 3.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-3-(benzylamino)-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 16665980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).