4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide

C14H14ClN3O3 — CID 81228254

IUPAC4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2cnccc2Cl)cn1
InChIInChI=1S/C14H14ClN3O3/c1-20-6-7-21-13-3-2-10(8-17-13)18-14(19)11-9-16-5-4-12(11)15/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyWTNZNPJLRVHXDH-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.41
Rot. Bonds6

About 4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide

4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 81228254) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is 4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID81228254
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide
SMILESCOCCOc1ccc(NC(=O)c2cnccc2Cl)cn1
InChIInChI=1S/C14H14ClN3O3/c1-20-6-7-21-13-3-2-10(8-17-13)18-14(19)11-9-16-5-4-12(11)15/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyWTNZNPJLRVHXDH-UHFFFAOYSA-N
XLogP2.41
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide
CID 81233280
N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrazine-2-carboxamide
CID 43069859
2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide
CID 103752362
4-chloro-N-(2-methoxy-4-pyridinyl)pyridine-3-carboxamide
CID 112739518
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2H-triazole-4-carboxamide
CID 112733407
4-chloro-N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 81227235
2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 100773616
N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-(methylamino)acetamide
CID 43704151
5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide
CID 43697910
4-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 81227052
4-chloro-N-(2-propoxyphenyl)pyridine-3-carboxamide
CID 81226778
N-(3,4-dichlorophenyl)-2-[[6-(2-methoxyethoxy)-3-pyridinyl]carbamoyl-methylamino]acetamide
CID 55743155

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide (CID 81228254) is 4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide is COCCOc1ccc(NC(=O)c2cnccc2Cl)cn1.
What is the InChIKey of 4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is WTNZNPJLRVHXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c1-20-6-7-21-13-3-2-10(8-17-13)18-14(19)11-9-16-5-4-12(11)15/h2-5,8-9H,6-7H2,1H3,(H,18,19).
What are the key properties of 4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide?
4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 307.74 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 81228254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).