4-chloro-2-ethyl-N-[5-[methyl-(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]benzamide

C21H25ClN4O2 — CID 146222036

IUPAC4-chloro-2-ethyl-N-[5-[methyl-(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]benzamide
SMILESCCC(=O)N1CC(N(C)c2cncc(NC(=O)c3ccc(Cl)cc3CC)c2)C1
InChIInChI=1S/C21H25ClN4O2/c1-4-14-8-15(22)6-7-19(14)21(28)24-16-9-17(11-23-10-16)25(3)18-12-26(13-18)20(27)5-2/h6-11,18H,4-5,12-13H2,1-3H3,(H,24,28)
InChIKeyYNAPZQMWRCUAQQ-UHFFFAOYSA-N
MW400.91 g/mol
LogP3.61
Rot. Bonds6

About 4-chloro-2-ethyl-N-[5-[methyl-(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]benzamide

4-chloro-2-ethyl-N-[5-[methyl-(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]benzamide (PubChem CID 146222036) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is 4-chloro-2-ethyl-N-[5-[methyl-(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name4-chloro-2-ethyl-N-[5-[methyl-(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]benzamide
PubChem CID146222036
Molecular FormulaC21H25ClN4O2
Molecular Weight400.91 g/mol
Exact Mass400.17
IUPAC Name4-chloro-2-ethyl-N-[5-[methyl-(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]benzamide
SMILESCCC(=O)N1CC(N(C)c2cncc(NC(=O)c3ccc(Cl)cc3CC)c2)C1
InChIInChI=1S/C21H25ClN4O2/c1-4-14-8-15(22)6-7-19(14)21(28)24-16-9-17(11-23-10-16)25(3)18-12-26(13-18)20(27)5-2/h6-11,18H,4-5,12-13H2,1-3H3,(H,24,28)
InChIKeyYNAPZQMWRCUAQQ-UHFFFAOYSA-N
XLogP3.61
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-N-[5-[methyl-(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]benzamide?
The IUPAC name of 4-chloro-2-ethyl-N-[5-[methyl-(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]benzamide (CID 146222036) is 4-chloro-2-ethyl-N-[5-[methyl-(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]benzamide.
What is the SMILES notation for 4-chloro-2-ethyl-N-[5-[methyl-(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]benzamide?
The canonical SMILES for 4-chloro-2-ethyl-N-[5-[methyl-(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]benzamide is CCC(=O)N1CC(N(C)c2cncc(NC(=O)c3ccc(Cl)cc3CC)c2)C1.
What is the InChIKey of 4-chloro-2-ethyl-N-[5-[methyl-(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]benzamide?
The InChIKey is YNAPZQMWRCUAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2/c1-4-14-8-15(22)6-7-19(14)21(28)24-16-9-17(11-23-10-16)25(3)18-12-26(13-18)20(27)5-2/h6-11,18H,4-5,12-13H2,1-3H3,(H,24,28).
What are the key properties of 4-chloro-2-ethyl-N-[5-[methyl-(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]benzamide?
4-chloro-2-ethyl-N-[5-[methyl-(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]benzamide has a molecular weight of 400.91 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-N-[5-[methyl-(1-propanoylazetidin-3-yl)amino]-3-pyridinyl]benzamide is sourced from PubChem (CID 146222036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).