N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-4-propylbenzamide

C19H23N3O2 — CID 52851554

IUPACN-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCCC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C19H23N3O2/c1-2-3-15-4-6-17(7-5-15)19(24)21-13-10-18(23)22-14-16-8-11-20-12-9-16/h4-9,11-12H,2-3,10,13-14H2,1H3,(H,21,24)(H,22,23)
InChIKeyHMWIPUCGTMMFHI-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.47
Rot. Bonds8

About N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-4-propylbenzamide

N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-4-propylbenzamide (PubChem CID 52851554) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-4-propylbenzamide.

Molecular Properties

Compound NameN-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-4-propylbenzamide
PubChem CID52851554
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-4-propylbenzamide
SMILESCCCc1ccc(C(=O)NCCC(=O)NCc2ccncc2)cc1
InChIInChI=1S/C19H23N3O2/c1-2-3-15-4-6-17(7-5-15)19(24)21-13-10-18(23)22-14-16-8-11-20-12-9-16/h4-9,11-12H,2-3,10,13-14H2,1H3,(H,21,24)(H,22,23)
InChIKeyHMWIPUCGTMMFHI-UHFFFAOYSA-N
XLogP2.47
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 70990816
3-(butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109012394
1-N-(2-methoxyethyl)-4-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109045098
N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
N-[2-(4-ethylphenyl)ethyl]pyridine-4-carboxamide
CID 110787242
N-pentyl-4-propylbenzamide
CID 70894308
3-[2-(4-chlorophenyl)ethylamino]-N-(pyridin-4-ylmethyl)propanamide
CID 109023792
3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 28712872
3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 60849701
4-amino-N-[3-[(4-hydroxyphenyl)methylamino]-3-oxopropyl]benzamide
CID 166202390
N-hexyl-4-propylbenzamide
CID 70894310
N-(2-aminoethyl)-4-propylbenzamide;hydrochloride
CID 119384783

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-4-propylbenzamide?
The IUPAC name of N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-4-propylbenzamide (CID 52851554) is N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-4-propylbenzamide.
What is the SMILES notation for N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-4-propylbenzamide?
The canonical SMILES for N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-4-propylbenzamide is CCCc1ccc(C(=O)NCCC(=O)NCc2ccncc2)cc1.
What is the InChIKey of N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-4-propylbenzamide?
The InChIKey is HMWIPUCGTMMFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-3-15-4-6-17(7-5-15)19(24)21-13-10-18(23)22-14-16-8-11-20-12-9-16/h4-9,11-12H,2-3,10,13-14H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-4-propylbenzamide?
N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-4-propylbenzamide has a molecular weight of 325.41 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]-4-propylbenzamide is sourced from PubChem (CID 52851554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).