2-(2-methoxyethoxy)-N-pyrimidin-2-ylpyridine-4-carboxamide

C13H14N4O3 — CID 119100115

IUPAC2-(2-methoxyethoxy)-N-pyrimidin-2-ylpyridine-4-carboxamide
SMILESCOCCOc1cc(C(=O)Nc2ncccn2)ccn1
InChIInChI=1S/C13H14N4O3/c1-19-7-8-20-11-9-10(3-6-14-11)12(18)17-13-15-4-2-5-16-13/h2-6,9H,7-8H2,1H3,(H,15,16,17,18)
InChIKeyAZRYBSHWAQUZKI-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.15
Rot. Bonds6

About 2-(2-methoxyethoxy)-N-pyrimidin-2-ylpyridine-4-carboxamide

2-(2-methoxyethoxy)-N-pyrimidin-2-ylpyridine-4-carboxamide (PubChem CID 119100115) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-pyrimidin-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-pyrimidin-2-ylpyridine-4-carboxamide
PubChem CID119100115
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-(2-methoxyethoxy)-N-pyrimidin-2-ylpyridine-4-carboxamide
SMILESCOCCOc1cc(C(=O)Nc2ncccn2)ccn1
InChIInChI=1S/C13H14N4O3/c1-19-7-8-20-11-9-10(3-6-14-11)12(18)17-13-15-4-2-5-16-13/h2-6,9H,7-8H2,1H3,(H,15,16,17,18)
InChIKeyAZRYBSHWAQUZKI-UHFFFAOYSA-N
XLogP1.15
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid
CID 120515829
N-(3-chloro-4-fluorophenyl)-2-(2-methoxyethoxy)pyridine-4-carboxamide
CID 119100107
3-methoxy-2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid
CID 120531677
2-(2-methoxyethoxy)-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide
CID 121017346
N-methoxy-2-(2-methoxyethoxy)-N-methylpyridine-4-carboxamide
CID 119100133
2-(2-ethoxyethoxy)-N-methylpyridine-4-carboxamide
CID 143484449
N-pyrimidin-2-yl-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734562
methyl 1-[2-(2-methoxyethoxy)pyridine-4-carbonyl]azetidine-3-carboxylate
CID 121017369
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-4-amine
CID 104559850
N-pyrimidin-2-ylbenzamide
CID 638481
2-ethoxy-N-naphthalen-2-ylpyridine-4-carboxamide
CID 86967497
3-amino-4-ethoxy-N-pyrimidin-2-ylbenzamide
CID 61093521

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-pyrimidin-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-pyrimidin-2-ylpyridine-4-carboxamide (CID 119100115) is 2-(2-methoxyethoxy)-N-pyrimidin-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-pyrimidin-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-pyrimidin-2-ylpyridine-4-carboxamide is COCCOc1cc(C(=O)Nc2ncccn2)ccn1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-pyrimidin-2-ylpyridine-4-carboxamide?
The InChIKey is AZRYBSHWAQUZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-19-7-8-20-11-9-10(3-6-14-11)12(18)17-13-15-4-2-5-16-13/h2-6,9H,7-8H2,1H3,(H,15,16,17,18).
What are the key properties of 2-(2-methoxyethoxy)-N-pyrimidin-2-ylpyridine-4-carboxamide?
2-(2-methoxyethoxy)-N-pyrimidin-2-ylpyridine-4-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-pyrimidin-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 119100115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).