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

C20H26N4O2 — CID 109218356

IUPAC4-(3-acetamidoanilino)-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2cccc(NC(C)=O)c2)ccn1
InChIInChI=1S/C20H26N4O2/c1-4-11-24(12-5-2)20(26)19-14-18(9-10-21-19)23-17-8-6-7-16(13-17)22-15(3)25/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,21,23)(H,22,25)
InChIKeyNNPBFPGUTBICJU-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.05
Rot. Bonds8

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

4-(3-acetamidoanilino)-N,N-dipropylpyridine-2-carboxamide (PubChem CID 109218356) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-(3-acetamidoanilino)-N,N-dipropylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-acetamidoanilino)-N,N-dipropylpyridine-2-carboxamide
PubChem CID109218356
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name4-(3-acetamidoanilino)-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2cccc(NC(C)=O)c2)ccn1
InChIInChI=1S/C20H26N4O2/c1-4-11-24(12-5-2)20(26)19-14-18(9-10-21-19)23-17-8-6-7-16(13-17)22-15(3)25/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,21,23)(H,22,25)
InChIKeyNNPBFPGUTBICJU-UHFFFAOYSA-N
XLogP4.05
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-acetamidoanilino)-N,N-diethylpyridine-2-carboxamide
CID 109216443
4-(3-methylanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218313
2-N-(3-acetamidophenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090505
4-(2,6-difluoroanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218386
4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide
CID 109218362
4-N-(3-acetylphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090588
4-(3-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207839
4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218327
4-(3,4-dimethoxyanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218350
4-N-(3-acetamidophenyl)-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109088967
N,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109218364
N,N-dipropyl-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213420

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamidoanilino)-N,N-dipropylpyridine-2-carboxamide?
The IUPAC name of 4-(3-acetamidoanilino)-N,N-dipropylpyridine-2-carboxamide (CID 109218356) is 4-(3-acetamidoanilino)-N,N-dipropylpyridine-2-carboxamide.
What is the SMILES notation for 4-(3-acetamidoanilino)-N,N-dipropylpyridine-2-carboxamide?
The canonical SMILES for 4-(3-acetamidoanilino)-N,N-dipropylpyridine-2-carboxamide is CCCN(CCC)C(=O)c1cc(Nc2cccc(NC(C)=O)c2)ccn1.
What is the InChIKey of 4-(3-acetamidoanilino)-N,N-dipropylpyridine-2-carboxamide?
The InChIKey is NNPBFPGUTBICJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-4-11-24(12-5-2)20(26)19-14-18(9-10-21-19)23-17-8-6-7-16(13-17)22-15(3)25/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,21,23)(H,22,25).
What are the key properties of 4-(3-acetamidoanilino)-N,N-dipropylpyridine-2-carboxamide?
4-(3-acetamidoanilino)-N,N-dipropylpyridine-2-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 4.05, 8 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-dipropylpyridine-2-carboxamide is sourced from PubChem (CID 109218356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).