6-(2,3-dichlorophenoxy)-N-[3-(methylamino)propyl]pyridine-3-carboxamide

C16H17Cl2N3O2 — CID 119431195

IUPAC6-(2,3-dichlorophenoxy)-N-[3-(methylamino)propyl]pyridine-3-carboxamide
SMILESCNCCCNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1
InChIInChI=1S/C16H17Cl2N3O2/c1-19-8-3-9-20-16(22)11-6-7-14(21-10-11)23-13-5-2-4-12(17)15(13)18/h2,4-7,10,19H,3,8-9H2,1H3,(H,20,22)
InChIKeyIWPVQZULGMBSSK-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.52
Rot. Bonds7

About 6-(2,3-dichlorophenoxy)-N-[3-(methylamino)propyl]pyridine-3-carboxamide

6-(2,3-dichlorophenoxy)-N-[3-(methylamino)propyl]pyridine-3-carboxamide (PubChem CID 119431195) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is 6-(2,3-dichlorophenoxy)-N-[3-(methylamino)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,3-dichlorophenoxy)-N-[3-(methylamino)propyl]pyridine-3-carboxamide
PubChem CID119431195
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC Name6-(2,3-dichlorophenoxy)-N-[3-(methylamino)propyl]pyridine-3-carboxamide
SMILESCNCCCNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1
InChIInChI=1S/C16H17Cl2N3O2/c1-19-8-3-9-20-16(22)11-6-7-14(21-10-11)23-13-5-2-4-12(17)15(13)18/h2,4-7,10,19H,3,8-9H2,1H3,(H,20,22)
InChIKeyIWPVQZULGMBSSK-UHFFFAOYSA-N
XLogP3.52
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.52
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

6-(2,3-dichlorophenoxy)-N-[2-(methylamino)propyl]pyridine-3-carboxamide;dihydrochloride
CID 120831593
N-(1-cyanocyclopropyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide
CID 99586512
6-(2,3-dichlorophenoxy)-N-piperidin-4-ylpyridine-3-carboxamide;dihydrochloride
CID 119387481
[6-(2,3-dichlorophenoxy)-3-pyridinyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119544234
N-(2-amino-1-cyclopropylethyl)-6-(2,3-dichlorophenoxy)pyridine-3-carboxamide
CID 119614592
3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429508
N-[2-[(4-chlorobenzoyl)amino]ethyl]-6-phenoxypyridine-3-carboxamide
CID 78888100
N-[3-(2-methoxyethoxy)propyl]-6-phenoxypyridine-3-carboxamide
CID 87002549
6-(2,6-dichloroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153423
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[6-(2,3-dichlorophenoxy)-3-pyridinyl]methanone
CID 120657843
2-N-[3-(methylamino)propyl]pyridine-2,5-dicarboxamide
CID 119431033
N-(2-methoxyethyl)-6-phenoxypyridine-3-carboxamide
CID 87000425

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichlorophenoxy)-N-[3-(methylamino)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2,3-dichlorophenoxy)-N-[3-(methylamino)propyl]pyridine-3-carboxamide (CID 119431195) is 6-(2,3-dichlorophenoxy)-N-[3-(methylamino)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,3-dichlorophenoxy)-N-[3-(methylamino)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2,3-dichlorophenoxy)-N-[3-(methylamino)propyl]pyridine-3-carboxamide is CNCCCNC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nc1.
What is the InChIKey of 6-(2,3-dichlorophenoxy)-N-[3-(methylamino)propyl]pyridine-3-carboxamide?
The InChIKey is IWPVQZULGMBSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c1-19-8-3-9-20-16(22)11-6-7-14(21-10-11)23-13-5-2-4-12(17)15(13)18/h2,4-7,10,19H,3,8-9H2,1H3,(H,20,22).
What are the key properties of 6-(2,3-dichlorophenoxy)-N-[3-(methylamino)propyl]pyridine-3-carboxamide?
6-(2,3-dichlorophenoxy)-N-[3-(methylamino)propyl]pyridine-3-carboxamide has a molecular weight of 354.24 g/mol, XLogP of 3.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichlorophenoxy)-N-[3-(methylamino)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 119431195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).