4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide

C18H22N4O2 — CID 109216443

IUPAC4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(Nc2cccc(NC(C)=O)c2)ccn1
InChIInChI=1S/C18H22N4O2/c1-4-22(5-2)18(24)17-12-16(9-10-19-17)21-15-8-6-7-14(11-15)20-13(3)23/h6-12H,4-5H2,1-3H3,(H,19,21)(H,20,23)
InChIKeyBFJKVVPPDQZURO-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.27
Rot. Bonds6

About 4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide

4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide (PubChem CID 109216443) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide
PubChem CID109216443
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(Nc2cccc(NC(C)=O)c2)ccn1
InChIInChI=1S/C18H22N4O2/c1-4-22(5-2)18(24)17-12-16(9-10-19-17)21-15-8-6-7-14(11-15)20-13(3)23/h6-12H,4-5H2,1-3H3,(H,19,21)(H,20,23)
InChIKeyBFJKVVPPDQZURO-UHFFFAOYSA-N
XLogP3.27
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-acetamidoanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218356
4-N-(3-acetamidophenyl)-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109088967
6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353458
4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207839
N,N-diethyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109216389
4-(3-methylanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218313
4-(3-acetamidoanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213605
4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210484
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
4-(4-chloro-2-methylanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216419
2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 43517392
4-anilino-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109218846

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide?
The IUPAC name of 4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide (CID 109216443) is 4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide.
What is the SMILES notation for 4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide?
The canonical SMILES for 4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide is CCN(CC)C(=O)c1cc(Nc2cccc(NC(C)=O)c2)ccn1.
What is the InChIKey of 4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide?
The InChIKey is BFJKVVPPDQZURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-4-22(5-2)18(24)17-12-16(9-10-19-17)21-15-8-6-7-14(11-15)20-13(3)23/h6-12H,4-5H2,1-3H3,(H,19,21)(H,20,23).
What are the key properties of 4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide?
4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide is sourced from PubChem (CID 109216443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).