6-chloro-4-[2-ethyl-3-(hydroxymethyl)anilino]pyridine-3-carboxamide

C15H16ClN3O2 — CID 58440318

IUPAC6-chloro-4-[2-ethyl-3-(hydroxymethyl)anilino]pyridine-3-carboxamide
SMILESCCc1c(CO)cccc1Nc1cc(Cl)ncc1C(N)=O
InChIInChI=1S/C15H16ClN3O2/c1-2-10-9(8-20)4-3-5-12(10)19-13-6-14(16)18-7-11(13)15(17)21/h3-7,20H,2,8H2,1H3,(H2,17,21)(H,18,19)
InChIKeyZXTKBGWIIOMAAL-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.63
Rot. Bonds5

About 6-chloro-4-[2-ethyl-3-(hydroxymethyl)anilino]pyridine-3-carboxamide

6-chloro-4-[2-ethyl-3-(hydroxymethyl)anilino]pyridine-3-carboxamide (PubChem CID 58440318) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.77 g/mol. Its IUPAC name is 6-chloro-4-[2-ethyl-3-(hydroxymethyl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[2-ethyl-3-(hydroxymethyl)anilino]pyridine-3-carboxamide
PubChem CID58440318
Molecular FormulaC15H16ClN3O2
Molecular Weight305.77 g/mol
Exact Mass305.09
IUPAC Name6-chloro-4-[2-ethyl-3-(hydroxymethyl)anilino]pyridine-3-carboxamide
SMILESCCc1c(CO)cccc1Nc1cc(Cl)ncc1C(N)=O
InChIInChI=1S/C15H16ClN3O2/c1-2-10-9(8-20)4-3-5-12(10)19-13-6-14(16)18-7-11(13)15(17)21/h3-7,20H,2,8H2,1H3,(H2,17,21)(H,18,19)
InChIKeyZXTKBGWIIOMAAL-UHFFFAOYSA-N
XLogP2.63
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-(2,3-dihydro-1,4-benzodioxin-5-ylamino)pyridine-3-carboxamide
CID 175501474
4-(3-bromoanilino)-6-chloropyridine-3-carboxamide;ethane
CID 144625083
6-chloro-4-[(2-methylsulfanylphenyl)methylamino]pyridine-3-carboxamide
CID 58440080
6-[2-(dimethylamino)ethoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-7-methoxyquinoline-3-carboxamide
CID 22170186
methyl 6-chloro-4-[2-ethyl-3-(hydroxymethyl)anilino]-5-nitropyridine-3-carboxylate
CID 87717595
6-[(5-carbamoyl-2-pyridinyl)amino]-4-(2-ethylanilino)pyridine-3-carboxamide
CID 175501425
7-[3-(diethylamino)propoxy]-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide
CID 22170238
7-(3-cyanopropoxy)-4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxyquinoline-3-carboxamide
CID 69238648
4-[2-ethyl-3-(hydroxymethyl)anilino]-6-methoxy-7-[3-(propylamino)propoxy]quinoline-3-carboxamide
CID 22170241
6-chloro-4-[(2,3,6-trifluorophenyl)methylamino]pyridine-3-carboxamide
CID 58440060
6-chloro-4-[3-(hydrazinecarbonyl)-2-methoxyanilino]-N-methylpyridine-3-carboxamide;ethane
CID 144625234
6-chloro-4-(2-hydroxypropylamino)pyridine-3-carboxamide
CID 146277774

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[2-ethyl-3-(hydroxymethyl)anilino]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-4-[2-ethyl-3-(hydroxymethyl)anilino]pyridine-3-carboxamide (CID 58440318) is 6-chloro-4-[2-ethyl-3-(hydroxymethyl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[2-ethyl-3-(hydroxymethyl)anilino]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[2-ethyl-3-(hydroxymethyl)anilino]pyridine-3-carboxamide is CCc1c(CO)cccc1Nc1cc(Cl)ncc1C(N)=O.
What is the InChIKey of 6-chloro-4-[2-ethyl-3-(hydroxymethyl)anilino]pyridine-3-carboxamide?
The InChIKey is ZXTKBGWIIOMAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-2-10-9(8-20)4-3-5-12(10)19-13-6-14(16)18-7-11(13)15(17)21/h3-7,20H,2,8H2,1H3,(H2,17,21)(H,18,19).
What are the key properties of 6-chloro-4-[2-ethyl-3-(hydroxymethyl)anilino]pyridine-3-carboxamide?
6-chloro-4-[2-ethyl-3-(hydroxymethyl)anilino]pyridine-3-carboxamide has a molecular weight of 305.77 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[2-ethyl-3-(hydroxymethyl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 58440318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).