N-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide

C18H23N3O2 — CID 120648074

IUPACN-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide
SMILESCC(Oc1cccnc1)C(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C18H23N3O2/c1-15(23-17-9-5-11-20-13-17)18(22)21(12-6-10-19)14-16-7-3-2-4-8-16/h2-5,7-9,11,13,15H,6,10,12,14,19H2,1H3
InChIKeyZBXGMTYHNIEOML-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.23
Rot. Bonds8

About N-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide

N-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide (PubChem CID 120648074) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide
PubChem CID120648074
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide
SMILESCC(Oc1cccnc1)C(=O)N(CCCN)Cc1ccccc1
InChIInChI=1S/C18H23N3O2/c1-15(23-17-9-5-11-20-13-17)18(22)21(12-6-10-19)14-16-7-3-2-4-8-16/h2-5,7-9,11,13,15H,6,10,12,14,19H2,1H3
InChIKeyZBXGMTYHNIEOML-UHFFFAOYSA-N
XLogP2.23
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-benzyl-2,3-dimethylbutanamide
CID 107365679
1-(3-aminopropyl)-3,3-diethyl-1-(pyridin-3-ylmethyl)urea
CID 79153559
N-(3-aminopropyl)-N-benzyl-2-(carbamoylamino)propanamide
CID 120649030
N-(3-aminopropyl)-N-benzyl-2-(3-propan-2-yloxyphenyl)acetamide
CID 120648333
N-(3-aminopropyl)-N-benzyl-2-methylsulfonylpropanamide;hydrochloride
CID 120648412
(2S)-N-[(4-ethylphenyl)methyl]-2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 8852538
N-(3-amino-3-oxopropyl)-N-benzyl-2-(4-methylphenoxy)propanamide
CID 43888170
2-pyridin-3-yloxypropanoic acid
CID 22668209
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
2-[benzyl-[2-(4-methoxyphenoxy)propanoyl]amino]acetic acid
CID 119196968
N-(3-aminopropyl)-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 79160812
N-(3-aminopropyl)-N-benzyl-2-phenoxyacetamide;hydrochloride
CID 120649017

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide (CID 120648074) is N-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide is CC(Oc1cccnc1)C(=O)N(CCCN)Cc1ccccc1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide?
The InChIKey is ZBXGMTYHNIEOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-15(23-17-9-5-11-20-13-17)18(22)21(12-6-10-19)14-16-7-3-2-4-8-16/h2-5,7-9,11,13,15H,6,10,12,14,19H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide?
N-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide has a molecular weight of 313.40 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-2-pyridin-3-yloxypropanamide is sourced from PubChem (CID 120648074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).