4-[(2-ethoxyphenyl)methylamino]pyridine-3-carboxamide

C15H17N3O2 — CID 133468437

IUPAC4-[(2-ethoxyphenyl)methylamino]pyridine-3-carboxamide
SMILESCCOc1ccccc1CNc1ccncc1C(N)=O
InChIInChI=1S/C15H17N3O2/c1-2-20-14-6-4-3-5-11(14)9-18-13-7-8-17-10-12(13)15(16)19/h3-8,10H,2,9H2,1H3,(H2,16,19)(H,17,18)
InChIKeyHAHRNOXYKQITPM-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.19
Rot. Bonds6

About 4-[(2-ethoxyphenyl)methylamino]pyridine-3-carboxamide

4-[(2-ethoxyphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 133468437) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[(2-ethoxyphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-ethoxyphenyl)methylamino]pyridine-3-carboxamide
PubChem CID133468437
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-[(2-ethoxyphenyl)methylamino]pyridine-3-carboxamide
SMILESCCOc1ccccc1CNc1ccncc1C(N)=O
InChIInChI=1S/C15H17N3O2/c1-2-20-14-6-4-3-5-11(14)9-18-13-7-8-17-10-12(13)15(16)19/h3-8,10H,2,9H2,1H3,(H2,16,19)(H,17,18)
InChIKeyHAHRNOXYKQITPM-UHFFFAOYSA-N
XLogP2.19
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2,2,2-trifluoroethoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 133467997
4-[[2-(4-chlorophenyl)phenyl]methylamino]pyridine-3-carboxamide
CID 133469856
2-[(4-ethoxy-3-pyridinyl)sulfamoyl]benzamide
CID 140517414
2-[(2-ethoxyphenyl)methylamino]-2-methylpropanamide
CID 61211249
1-[(2-ethoxyphenyl)methyl]-3-(pyridin-4-ylmethyl)urea
CID 60569628
2-amino-N-[(2-ethoxyphenyl)methyl]pyridine-3-carboxamide
CID 53334706
3-ethoxy-1-N-[(3-methyl-4-pyridinyl)methyl]benzene-1,2-diamine
CID 114698392
3-(aminomethyl)-N-[(2-methoxyphenyl)methyl]pyridin-4-amine
CID 115045042
4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide
CID 133469009
3-[(2-ethoxyphenyl)methoxy]pyridine-4-carboxylic acid
CID 81445971
N-[(2-ethoxyphenyl)methyl]pyridine-3-sulfonamide
CID 25045130
4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide
CID 133442189

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxyphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 4-[(2-ethoxyphenyl)methylamino]pyridine-3-carboxamide (CID 133468437) is 4-[(2-ethoxyphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[(2-ethoxyphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 4-[(2-ethoxyphenyl)methylamino]pyridine-3-carboxamide is CCOc1ccccc1CNc1ccncc1C(N)=O.
What is the InChIKey of 4-[(2-ethoxyphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is HAHRNOXYKQITPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-2-20-14-6-4-3-5-11(14)9-18-13-7-8-17-10-12(13)15(16)19/h3-8,10H,2,9H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of 4-[(2-ethoxyphenyl)methylamino]pyridine-3-carboxamide?
4-[(2-ethoxyphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxyphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133468437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).