N-[3-cyano-4-(1-methoxyethoxy)phenyl]pyridine-2-carboxamide

C16H15N3O3 — CID 141478642

IUPACN-[3-cyano-4-(1-methoxyethoxy)phenyl]pyridine-2-carboxamide
SMILESCOC(C)Oc1ccc(NC(=O)c2ccccn2)cc1C#N
InChIInChI=1S/C16H15N3O3/c1-11(21-2)22-15-7-6-13(9-12(15)10-17)19-16(20)14-5-3-4-8-18-14/h3-9,11H,1-2H3,(H,19,20)
InChIKeyWIEZGQAWCOSSBX-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.58
Rot. Bonds5

About N-[3-cyano-4-(1-methoxyethoxy)phenyl]pyridine-2-carboxamide

N-[3-cyano-4-(1-methoxyethoxy)phenyl]pyridine-2-carboxamide (PubChem CID 141478642) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[3-cyano-4-(1-methoxyethoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-cyano-4-(1-methoxyethoxy)phenyl]pyridine-2-carboxamide
PubChem CID141478642
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-[3-cyano-4-(1-methoxyethoxy)phenyl]pyridine-2-carboxamide
SMILESCOC(C)Oc1ccc(NC(=O)c2ccccn2)cc1C#N
InChIInChI=1S/C16H15N3O3/c1-11(21-2)22-15-7-6-13(9-12(15)10-17)19-16(20)14-5-3-4-8-18-14/h3-9,11H,1-2H3,(H,19,20)
InChIKeyWIEZGQAWCOSSBX-UHFFFAOYSA-N
XLogP2.58
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-3-cyanophenyl)pyridine-2-carboxamide
CID 122187792
2-[(3-cyano-4-propan-2-yloxyphenyl)carbamoyl]benzoic acid
CID 85471400
N-(3,4-diethoxyphenyl)pyridine-2-carboxamide
CID 17411866
N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010
2-methoxy-5-(pyridine-2-carbonylamino)benzenesulfonyl chloride
CID 43093324
5-amino-N-(3-cyano-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 141478656
N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 821516
1-(3-cyano-4-propan-2-yloxyphenyl)-3-(1-methylpyrazol-3-yl)urea
CID 86799894
1-(3-cyano-4-propan-2-yloxyphenyl)-3-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]urea
CID 99800243
N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]pyridine-2-carboxamide
CID 131938039
N-(3-cyano-4-methoxyphenyl)acetamide
CID 5070081
3-bromo-N-(3,4-dicyanophenyl)pyridine-2-carboxamide
CID 107791028

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-(1-methoxyethoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-cyano-4-(1-methoxyethoxy)phenyl]pyridine-2-carboxamide (CID 141478642) is N-[3-cyano-4-(1-methoxyethoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-cyano-4-(1-methoxyethoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-cyano-4-(1-methoxyethoxy)phenyl]pyridine-2-carboxamide is COC(C)Oc1ccc(NC(=O)c2ccccn2)cc1C#N.
What is the InChIKey of N-[3-cyano-4-(1-methoxyethoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is WIEZGQAWCOSSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-11(21-2)22-15-7-6-13(9-12(15)10-17)19-16(20)14-5-3-4-8-18-14/h3-9,11H,1-2H3,(H,19,20).
What are the key properties of N-[3-cyano-4-(1-methoxyethoxy)phenyl]pyridine-2-carboxamide?
N-[3-cyano-4-(1-methoxyethoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-(1-methoxyethoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 141478642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).