N-(3-methoxypropyl)-2-(1-pyridin-4-ylethylamino)propanamide

C14H23N3O2 — CID 43524055

IUPACN-(3-methoxypropyl)-2-(1-pyridin-4-ylethylamino)propanamide
SMILESCOCCCNC(=O)C(C)NC(C)c1ccncc1
InChIInChI=1S/C14H23N3O2/c1-11(13-5-8-15-9-6-13)17-12(2)14(18)16-7-4-10-19-3/h5-6,8-9,11-12,17H,4,7,10H2,1-3H3,(H,16,18)
InChIKeyCQHPOYDJFXMDHR-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.27
Rot. Bonds8

About N-(3-methoxypropyl)-2-(1-pyridin-4-ylethylamino)propanamide

N-(3-methoxypropyl)-2-(1-pyridin-4-ylethylamino)propanamide (PubChem CID 43524055) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(1-pyridin-4-ylethylamino)propanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(1-pyridin-4-ylethylamino)propanamide
PubChem CID43524055
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(3-methoxypropyl)-2-(1-pyridin-4-ylethylamino)propanamide
SMILESCOCCCNC(=O)C(C)NC(C)c1ccncc1
InChIInChI=1S/C14H23N3O2/c1-11(13-5-8-15-9-6-13)17-12(2)14(18)16-7-4-10-19-3/h5-6,8-9,11-12,17H,4,7,10H2,1-3H3,(H,16,18)
InChIKeyCQHPOYDJFXMDHR-UHFFFAOYSA-N
XLogP1.27
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-bromophenyl)ethylamino]-N-(3-methoxypropyl)propanamide
CID 60744778
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-N-(2-methoxyethyl)propanamide
CID 81359885
2-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(3-methoxypropyl)propanamide
CID 61469359
3-(2-methoxyethoxy)-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 28720895
N-(ethylcarbamoyl)-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81406042
N-(ethylcarbamoyl)-2-[[(1R)-1-pyridin-4-ylethyl]amino]propanamide
CID 81409955
5-methoxy-N-(1-pyridin-4-ylethyl)pentan-1-amine
CID 103711047
N-tert-butyl-2-[[(1S)-1-pyridin-4-ylethyl]amino]propanamide
CID 81410714
2-[1-(4-cyanophenyl)ethylamino]-N-(2-methoxyethyl)propanamide
CID 60919147
2-[[(1S)-1-pyridin-4-ylethyl]amino]propanoic acid
CID 81405988
2-[1-(4-methoxyphenyl)ethylamino]-N-pentylpropanamide
CID 62048218
N-(2-methoxyethyl)-2-(pyridin-4-ylmethylamino)propanamide
CID 43086931

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(1-pyridin-4-ylethylamino)propanamide?
The IUPAC name of N-(3-methoxypropyl)-2-(1-pyridin-4-ylethylamino)propanamide (CID 43524055) is N-(3-methoxypropyl)-2-(1-pyridin-4-ylethylamino)propanamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(1-pyridin-4-ylethylamino)propanamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(1-pyridin-4-ylethylamino)propanamide is COCCCNC(=O)C(C)NC(C)c1ccncc1.
What is the InChIKey of N-(3-methoxypropyl)-2-(1-pyridin-4-ylethylamino)propanamide?
The InChIKey is CQHPOYDJFXMDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(13-5-8-15-9-6-13)17-12(2)14(18)16-7-4-10-19-3/h5-6,8-9,11-12,17H,4,7,10H2,1-3H3,(H,16,18).
What are the key properties of N-(3-methoxypropyl)-2-(1-pyridin-4-ylethylamino)propanamide?
N-(3-methoxypropyl)-2-(1-pyridin-4-ylethylamino)propanamide has a molecular weight of 265.36 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(1-pyridin-4-ylethylamino)propanamide is sourced from PubChem (CID 43524055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).