2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide

C14H22ClN3O2 — CID 104765513

IUPAC2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCOC(C)C)cc(Cl)n1
InChIInChI=1S/C14H22ClN3O2/c1-4-5-16-13-9-11(8-12(15)18-13)14(19)17-6-7-20-10(2)3/h8-10H,4-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyPLFMETUCBBHCLC-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.71
Rot. Bonds8

About 2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide

2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide (PubChem CID 104765513) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide
PubChem CID104765513
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Name2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)NCCOC(C)C)cc(Cl)n1
InChIInChI=1S/C14H22ClN3O2/c1-4-5-16-13-9-11(8-12(15)18-13)14(19)17-6-7-20-10(2)3/h8-10H,4-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyPLFMETUCBBHCLC-UHFFFAOYSA-N
XLogP2.71
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide
CID 113450078
2-chloro-N-(2-methylsulfanylethyl)-6-(propylamino)pyridine-4-carboxamide
CID 63963791
2-chloro-N-methyl-6-(propylamino)pyridine-4-carboxamide
CID 62171490
2-ethyl-6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 104765567
N-(2-butoxyethyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62178841
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 106241191
N-(4-propan-2-yloxybutyl)-2-(propylamino)pyridine-4-carboxamide
CID 106015134
2-chloro-N-(3-ethylpentan-3-yl)-6-(propylamino)pyridine-4-carboxamide
CID 65042532
2-chloro-6-(propylamino)-N-[2-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 63245018
2-chloro-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-chloro-N-(2-ethoxyethyl)-6-hydrazinylpyridine-4-carboxamide
CID 62234303
4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 104600972

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide (CID 104765513) is 2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)NCCOC(C)C)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide?
The InChIKey is PLFMETUCBBHCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O2/c1-4-5-16-13-9-11(8-12(15)18-13)14(19)17-6-7-20-10(2)3/h8-10H,4-7H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of 2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide?
2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide has a molecular weight of 299.80 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 104765513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).