N-[1-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide

C23H24ClN5O3 — CID 42642006

IUPACN-[1-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(c2ccc(-n3ccc(OCc4ccc(Cl)cn4)cc3=O)cn2)C1
InChIInChI=1S/C23H24ClN5O3/c1-16(30)27(2)20-7-9-28(14-20)22-6-5-19(13-26-22)29-10-8-21(11-23(29)31)32-15-18-4-3-17(24)12-25-18/h3-6,8,10-13,20H,7,9,14-15H2,1-2H3
InChIKeyREYWCMJCTFMKIH-UHFFFAOYSA-N
MW453.93 g/mol
LogP2.92
Rot. Bonds6

About N-[1-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide

N-[1-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide (PubChem CID 42642006) has the molecular formula C23H24ClN5O3 and a molecular weight of 453.93 g/mol. Its IUPAC name is N-[1-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide
PubChem CID42642006
Molecular FormulaC23H24ClN5O3
Molecular Weight453.93 g/mol
Exact Mass453.16
IUPAC NameN-[1-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(c2ccc(-n3ccc(OCc4ccc(Cl)cn4)cc3=O)cn2)C1
InChIInChI=1S/C23H24ClN5O3/c1-16(30)27(2)20-7-9-28(14-20)22-6-5-19(13-26-22)29-10-8-21(11-23(29)31)32-15-18-4-3-17(24)12-25-18/h3-6,8,10-13,20H,7,9,14-15H2,1-2H3
InChIKeyREYWCMJCTFMKIH-UHFFFAOYSA-N
XLogP2.92
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-[1-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide (CID 42642006) is N-[1-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[1-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide is CC(=O)N(C)C1CCN(c2ccc(-n3ccc(OCc4ccc(Cl)cn4)cc3=O)cn2)C1.
What is the InChIKey of N-[1-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is REYWCMJCTFMKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O3/c1-16(30)27(2)20-7-9-28(14-20)22-6-5-19(13-26-22)29-10-8-21(11-23(29)31)32-15-18-4-3-17(24)12-25-18/h3-6,8,10-13,20H,7,9,14-15H2,1-2H3.
What are the key properties of N-[1-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide?
N-[1-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 453.93 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 42642006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).