N-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide

C18H20N4O2 — CID 109181915

IUPACN-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)N3CCCC3)nc2)cc1
InChIInChI=1S/C18H20N4O2/c1-13(23)20-14-4-6-15(7-5-14)21-16-8-9-17(19-12-16)18(24)22-10-2-3-11-22/h4-9,12,21H,2-3,10-11H2,1H3,(H,20,23)
InChIKeyUCUCEVIJEMTGCB-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.02
Rot. Bonds4

About N-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide

N-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide (PubChem CID 109181915) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
PubChem CID109181915
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C(=O)N3CCCC3)nc2)cc1
InChIInChI=1S/C18H20N4O2/c1-13(23)20-14-4-6-15(7-5-14)21-16-8-9-17(19-12-16)18(24)22-10-2-3-11-22/h4-9,12,21H,2-3,10-11H2,1H3,(H,20,23)
InChIKeyUCUCEVIJEMTGCB-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-[[6-(piperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109182665
(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109181859
[5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181948
azepan-1-yl-[5-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109196821
ethyl 4-[[6-(azepane-1-carbonyl)-3-pyridinyl]amino]benzoate
CID 109196834
[5-(4-bromo-3-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181936
1-[4-[5-(4-methoxyanilino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109187301
azocan-1-yl-[5-(ethylamino)-2-pyridinyl]methanone
CID 104639816
azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642343
azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109196797
N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109225638
[5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181885

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide (CID 109181915) is N-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2ccc(C(=O)N3CCCC3)nc2)cc1.
What is the InChIKey of N-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide?
The InChIKey is UCUCEVIJEMTGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13(23)20-14-4-6-15(7-5-14)21-16-8-9-17(19-12-16)18(24)22-10-2-3-11-22/h4-9,12,21H,2-3,10-11H2,1H3,(H,20,23).
What are the key properties of N-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide?
N-[4-[[6-(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-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide is sourced from PubChem (CID 109181915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).