N,N-diethyl-5-(4-phenoxyanilino)pyridine-3-carboxamide

C22H23N3O2 — CID 109238844

IUPACN,N-diethyl-5-(4-phenoxyanilino)pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cncc(Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C22H23N3O2/c1-3-25(4-2)22(26)17-14-19(16-23-15-17)24-18-10-12-21(13-11-18)27-20-8-6-5-7-9-20/h5-16,24H,3-4H2,1-2H3
InChIKeyYQZPKYICFYHDQE-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.10
Rot. Bonds7

About N,N-diethyl-5-(4-phenoxyanilino)pyridine-3-carboxamide

N,N-diethyl-5-(4-phenoxyanilino)pyridine-3-carboxamide (PubChem CID 109238844) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N,N-diethyl-5-(4-phenoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-(4-phenoxyanilino)pyridine-3-carboxamide
PubChem CID109238844
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN,N-diethyl-5-(4-phenoxyanilino)pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cncc(Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C22H23N3O2/c1-3-25(4-2)22(26)17-14-19(16-23-15-17)24-18-10-12-21(13-11-18)27-20-8-6-5-7-9-20/h5-16,24H,3-4H2,1-2H3
InChIKeyYQZPKYICFYHDQE-UHFFFAOYSA-N
XLogP5.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-(4-phenoxyanilino)-N-phenylpyridine-3-carboxamide
CID 109242250
N-benzyl-5-(4-tert-butylanilino)-N-ethylpyridine-3-carboxamide
CID 109234765
N,N-diethyl-5-(2-methoxyanilino)pyridine-3-carboxamide
CID 109238813
N-benzyl-5-(3,4-difluoroanilino)-N-ethylpyridine-3-carboxamide
CID 109234812
5-(2-tert-butylanilino)-N,N-diethylpyridine-3-carboxamide
CID 109238796
N,N-diethyl-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109238819
N,N-diethyl-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109238842
5-(4-acetylanilino)-N-ethyl-N-phenylpyridine-3-carboxamide
CID 109243578
5-(4-methylanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109240921
5-(2,3-dimethylanilino)-N,N-diethylpyridine-3-carboxamide
CID 109238786
N,N-diethyl-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109238757
5-(4-chloroanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109240944

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(4-phenoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N,N-diethyl-5-(4-phenoxyanilino)pyridine-3-carboxamide (CID 109238844) is N,N-diethyl-5-(4-phenoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-5-(4-phenoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N,N-diethyl-5-(4-phenoxyanilino)pyridine-3-carboxamide is CCN(CC)C(=O)c1cncc(Nc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of N,N-diethyl-5-(4-phenoxyanilino)pyridine-3-carboxamide?
The InChIKey is YQZPKYICFYHDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-3-25(4-2)22(26)17-14-19(16-23-15-17)24-18-10-12-21(13-11-18)27-20-8-6-5-7-9-20/h5-16,24H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-5-(4-phenoxyanilino)pyridine-3-carboxamide?
N,N-diethyl-5-(4-phenoxyanilino)pyridine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(4-phenoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109238844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).