N-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide

C14H23N3O2 — CID 104765522

IUPACN-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)NCCOC(C)C
InChIInChI=1S/C14H23N3O2/c1-4-7-15-13-12(6-5-8-16-13)14(18)17-9-10-19-11(2)3/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyHCZSLPIVGRMBHW-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.06
Rot. Bonds8

About N-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide

N-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide (PubChem CID 104765522) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide
PubChem CID104765522
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ncccc1C(=O)NCCOC(C)C
InChIInChI=1S/C14H23N3O2/c1-4-7-15-13-12(6-5-8-16-13)14(18)17-9-10-19-11(2)3/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyHCZSLPIVGRMBHW-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
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-(3-propoxypropyl)-2-(propylamino)pyridine-3-carboxamide
CID 82946727
N-(2-methylsulfanylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 63961240
N-(2-phenylethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62167056
2-(2-propan-2-yloxyethylcarbamoyl)pyridine-3-carboxylic acid
CID 104759073
N-[2-(methanesulfonamido)ethyl]-2-(propylamino)pyridine-3-carboxamide
CID 62168878
N-(cyclopentylmethyl)-2-(propylamino)pyridine-3-carboxamide
CID 62168476
N-(2-methyl-2-methylsulfonylpropyl)-2-(propylamino)pyridine-3-carboxamide
CID 79557910
N-ethyl-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62181530
2-(propylamino)pyridine-3-carboxylate
CID 22068597
2-(ethylamino)-N-(2-propan-2-yloxyethyl)benzamide
CID 113450457
2-(ethylamino)-N-[3-oxo-3-(propylamino)propyl]pyridine-3-carboxamide
CID 62178636
N-methyl-N-(3-methylbutan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62168547

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide (CID 104765522) is N-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide is CCCNc1ncccc1C(=O)NCCOC(C)C.
What is the InChIKey of N-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide?
The InChIKey is HCZSLPIVGRMBHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-7-15-13-12(6-5-8-16-13)14(18)17-9-10-19-11(2)3/h5-6,8,11H,4,7,9-10H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of N-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide?
N-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyethyl)-2-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 104765522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).