N-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide

C16H17N3O3 — CID 87002406

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)cn1
InChIInChI=1S/C16H17N3O3/c1-2-22-15-8-5-12(10-18-15)16(21)19-13-6-3-11(4-7-13)9-14(17)20/h3-8,10H,2,9H2,1H3,(H2,17,20)(H,19,21)
InChIKeyLOXRYYFFUHFKRN-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.76
Rot. Bonds6

About N-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide

N-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide (PubChem CID 87002406) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide
PubChem CID87002406
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)cn1
InChIInChI=1S/C16H17N3O3/c1-2-22-15-8-5-12(10-18-15)16(21)19-13-6-3-11(4-7-13)9-14(17)20/h3-8,10H,2,9H2,1H3,(H2,17,20)(H,19,21)
InChIKeyLOXRYYFFUHFKRN-UHFFFAOYSA-N
XLogP1.76
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-N-(2-methoxypyrimidin-5-yl)pyridine-3-carboxamide
CID 122301635
N-[4-(2-hydroxyethyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 61221260
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(ethylsulfonylamino)benzamide
CID 100785351
4-amino-N-(6-ethoxy-3-pyridinyl)-3-methoxybenzamide
CID 104783111
2-N,5-N-bis(4-ethoxyphenyl)pyridine-2,5-dicarboxamide
CID 3252781
N-[4-(6-ethoxypyridazin-3-yl)phenyl]-4-methylbenzamide
CID 7593660
N-tert-butyl-6-ethoxypyridine-3-carboxamide
CID 47244667
6-ethoxy-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 87015454
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide
CID 122300559
N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-6-ethoxypyridine-3-carboxamide
CID 87005424
6-ethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide
CID 122316061
6-ethoxy-N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]pyridine-3-carboxamide
CID 122316467

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide (CID 87002406) is N-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide is CCOc1ccc(C(=O)Nc2ccc(CC(N)=O)cc2)cn1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide?
The InChIKey is LOXRYYFFUHFKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-2-22-15-8-5-12(10-18-15)16(21)19-13-6-3-11(4-7-13)9-14(17)20/h3-8,10H,2,9H2,1H3,(H2,17,20)(H,19,21).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-6-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 87002406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).