5-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide

C13H21N3O2 — CID 109223169

IUPAC5-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCOCCCNc1cncc(C(=O)NC(C)C)c1
InChIInChI=1S/C13H21N3O2/c1-10(2)16-13(17)11-7-12(9-14-8-11)15-5-4-6-18-3/h7-10,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyONBDCIHEKIRKPO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.67
Rot. Bonds7

About 5-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide

5-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 109223169) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID109223169
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide
SMILESCOCCCNc1cncc(C(=O)NC(C)C)c1
InChIInChI=1S/C13H21N3O2/c1-10(2)16-13(17)11-7-12(9-14-8-11)15-5-4-6-18-3/h7-10,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyONBDCIHEKIRKPO-UHFFFAOYSA-N
XLogP1.67
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.67
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

N-butan-2-yl-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109225122
N-(3-methoxypropyl)-5-(pentylamino)pyridine-3-carboxamide
CID 109228070
5-(3-methoxypropylamino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109228264
[5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225504
5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide
CID 109223200
N-(2-methoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228300
N-[2-(4-fluorophenyl)ethyl]-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228217
N-(2,5-dimethoxyphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228308
5-(2-morpholin-4-ylethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109223173
N-(4-bromo-2-methylphenyl)-5-(3-methoxypropylamino)pyridine-3-carboxamide
CID 109228337
N-(2-methoxyethyl)-5-(propylamino)pyridine-3-carboxamide
CID 109222970
6-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109151323

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide (CID 109223169) is 5-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide is COCCCNc1cncc(C(=O)NC(C)C)c1.
What is the InChIKey of 5-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is ONBDCIHEKIRKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)16-13(17)11-7-12(9-14-8-11)15-5-4-6-18-3/h7-10,15H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 5-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide?
5-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxypropylamino)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 109223169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).