[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate

C18H18ClN3O4 — CID 16536922

IUPAC[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
SMILESCc1cccc(C(=O)NCC(=O)OC(C)C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C18H18ClN3O4/c1-11-4-3-5-13(8-11)18(25)21-10-16(23)26-12(2)17(24)22-15-7-6-14(19)9-20-15/h3-9,12H,10H2,1-2H3,(H,21,25)(H,20,22,24)
InChIKeyXSHHBDYIDSJZJC-UHFFFAOYSA-N
MW375.81 g/mol
LogP2.34
Rot. Bonds6

About [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate

[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate (PubChem CID 16536922) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
PubChem CID16536922
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC Name[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
SMILESCc1cccc(C(=O)NCC(=O)OC(C)C(=O)Nc2ccc(Cl)cn2)c1
InChIInChI=1S/C18H18ClN3O4/c1-11-4-3-5-13(8-11)18(25)21-10-16(23)26-12(2)17(24)22-15-7-6-14(19)9-20-15/h3-9,12H,10H2,1-2H3,(H,21,25)(H,20,22,24)
InChIKeyXSHHBDYIDSJZJC-UHFFFAOYSA-N
XLogP2.34
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate?
The IUPAC name of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate (CID 16536922) is [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate.
What is the SMILES notation for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate?
The canonical SMILES for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate is Cc1cccc(C(=O)NCC(=O)OC(C)C(=O)Nc2ccc(Cl)cn2)c1.
What is the InChIKey of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate?
The InChIKey is XSHHBDYIDSJZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c1-11-4-3-5-13(8-11)18(25)21-10-16(23)26-12(2)17(24)22-15-7-6-14(19)9-20-15/h3-9,12H,10H2,1-2H3,(H,21,25)(H,20,22,24).
What are the key properties of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate?
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate has a molecular weight of 375.81 g/mol, XLogP of 2.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate is sourced from PubChem (CID 16536922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).