N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide

C14H23N3O2 — CID 104765582

IUPACN-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)NCCOC(C)C)nc1
InChIInChI=1S/C14H23N3O2/c1-4-7-15-12-5-6-13(17-10-12)14(18)16-8-9-19-11(2)3/h5-6,10-11,15H,4,7-9H2,1-3H3,(H,16,18)
InChIKeyYRTMOTBKJXBQBW-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.06
Rot. Bonds8

About N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide

N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide (PubChem CID 104765582) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide
PubChem CID104765582
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(C(=O)NCCOC(C)C)nc1
InChIInChI=1S/C14H23N3O2/c1-4-7-15-12-5-6-13(17-10-12)14(18)16-8-9-19-11(2)3/h5-6,10-11,15H,4,7-9H2,1-3H3,(H,16,18)
InChIKeyYRTMOTBKJXBQBW-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-(2-methoxyethyl)-5-(3-methylbutylamino)pyridine-2-carboxamide
CID 109183892
N-(4-methoxybutan-2-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104641554
N-butan-2-yl-5-(propylamino)pyridine-2-carboxamide
CID 109179241
5-(butylamino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109180889
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
CID 104578528
N-(1-methoxypropan-2-yl)-N-methyl-5-(propylamino)pyridine-2-carboxamide
CID 104640516
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
5-hydrazinyl-N-propylpyridine-2-carboxamide
CID 104642261
5-(propylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-2-carboxamide
CID 104641010
6-(3-propan-2-yloxypropylcarbamoyl)pyridine-3-carboxylic acid
CID 14210559
5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide
CID 109179079
5-(2-methylpropylamino)-N-pentylpyridine-2-carboxamide
CID 109181275

Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide (CID 104765582) is N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(C(=O)NCCOC(C)C)nc1.
What is the InChIKey of N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide?
The InChIKey is YRTMOTBKJXBQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-7-15-12-5-6-13(17-10-12)14(18)16-8-9-19-11(2)3/h5-6,10-11,15H,4,7-9H2,1-3H3,(H,16,18).
What are the key properties of N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide?
N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-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)-5-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 104765582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).