N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide

C18H20N4O2 — CID 109225638

IUPACN-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cncc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C18H20N4O2/c1-13(23)20-15-4-6-16(7-5-15)21-17-10-14(11-19-12-17)18(24)22-8-2-3-9-22/h4-7,10-12,21H,2-3,8-9H2,1H3,(H,20,23)
InChIKeyULAFTUZOZKIZKE-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.02
Rot. Bonds4

About N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide

N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide (PubChem CID 109225638) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
PubChem CID109225638
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cncc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C18H20N4O2/c1-13(23)20-15-4-6-16(7-5-15)21-17-10-14(11-19-12-17)18(24)22-8-2-3-9-22/h4-7,10-12,21H,2-3,8-9H2,1H3,(H,20,23)
InChIKeyULAFTUZOZKIZKE-UHFFFAOYSA-N
XLogP3.02
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[5-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109230186
N-[4-[[5-(4-methylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109227130
N-(4-acetamidophenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102613
[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226378
[5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226426
[5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225614
4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109241313
1-[4-[5-(4-chloroanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231098
[5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225687
[5-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226403
1-[4-[5-[4-(dimethylamino)anilino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231128
[5-(3-bromoanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225656

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide (CID 109225638) is N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2cncc(C(=O)N3CCCC3)c2)cc1.
What is the InChIKey of N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide?
The InChIKey is ULAFTUZOZKIZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13(23)20-15-4-6-16(7-5-15)21-17-10-14(11-19-12-17)18(24)22-8-2-3-9-22/h4-7,10-12,21H,2-3,8-9H2,1H3,(H,20,23).
What are the key properties of N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide?
N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide is sourced from PubChem (CID 109225638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).