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

C17H22N4O — CID 16665899

IUPAC4-(1-aminoethyl)-3-(3-aminopropyl)-N-pyridin-4-ylbenzamide
SMILESCC(N)c1ccc(C(=O)Nc2ccncc2)cc1CCCN
InChIInChI=1S/C17H22N4O/c1-12(19)16-5-4-14(11-13(16)3-2-8-18)17(22)21-15-6-9-20-10-7-15/h4-7,9-12H,2-3,8,18-19H2,1H3,(H,20,21,22)
InChIKeySLQNCIWFGWRKTQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.24
Rot. Bonds6

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

4-(1-aminoethyl)-3-(3-aminopropyl)-N-pyridin-4-ylbenzamide (PubChem CID 16665899) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(1-aminoethyl)-3-(3-aminopropyl)-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-3-(3-aminopropyl)-N-pyridin-4-ylbenzamide
PubChem CID16665899
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name4-(1-aminoethyl)-3-(3-aminopropyl)-N-pyridin-4-ylbenzamide
SMILESCC(N)c1ccc(C(=O)Nc2ccncc2)cc1CCCN
InChIInChI=1S/C17H22N4O/c1-12(19)16-5-4-14(11-13(16)3-2-8-18)17(22)21-15-6-9-20-10-7-15/h4-7,9-12H,2-3,8,18-19H2,1H3,(H,20,21,22)
InChIKeySLQNCIWFGWRKTQ-UHFFFAOYSA-N
XLogP2.24
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-aminoethyl)-3-(3-aminopropoxy)-N-pyridin-4-ylbenzamide;trihydrochloride
CID 69076885
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-(phenylcarbamoylamino)-N-pyridin-4-ylbenzamide
CID 16665979
4-(1-aminoethyl)-3-pyridin-3-yl-N-pyridin-4-ylbenzamide
CID 16666141
4-(1-aminoethyl)-3-(benzylamino)-N-pyridin-4-ylbenzamide
CID 16665980
4-(1-aminoethyl)-3-(phenylcarbamothioylamino)-N-pyridin-4-ylbenzamide
CID 16665978
2-phenylethyl 3-[2-(1-aminoethyl)-5-(pyridin-4-ylcarbamoyl)phenyl]benzoate
CID 71115628
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-pyridin-4-ylbenzamide
CID 119870573
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536954

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-3-(3-aminopropyl)-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-(1-aminoethyl)-3-(3-aminopropyl)-N-pyridin-4-ylbenzamide (CID 16665899) is 4-(1-aminoethyl)-3-(3-aminopropyl)-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-(1-aminoethyl)-3-(3-aminopropyl)-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-(1-aminoethyl)-3-(3-aminopropyl)-N-pyridin-4-ylbenzamide is CC(N)c1ccc(C(=O)Nc2ccncc2)cc1CCCN.
What is the InChIKey of 4-(1-aminoethyl)-3-(3-aminopropyl)-N-pyridin-4-ylbenzamide?
The InChIKey is SLQNCIWFGWRKTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12(19)16-5-4-14(11-13(16)3-2-8-18)17(22)21-15-6-9-20-10-7-15/h4-7,9-12H,2-3,8,18-19H2,1H3,(H,20,21,22).
What are the key properties of 4-(1-aminoethyl)-3-(3-aminopropyl)-N-pyridin-4-ylbenzamide?
4-(1-aminoethyl)-3-(3-aminopropyl)-N-pyridin-4-ylbenzamide has a molecular weight of 298.39 g/mol, XLogP of 2.24, 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-(3-aminopropyl)-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 16665899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).