N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide

C22H21ClN4O3 — CID 10002502

IUPACN-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(COc2cccnc2)c1)c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C22H21ClN4O3/c23-20-4-3-18(12-17(20)15-30-19-2-1-6-24-14-19)26-22(28)16-5-7-25-21(13-16)27-8-10-29-11-9-27/h1-7,12-14H,8-11,15H2,(H,26,28)
InChIKeyLNZRBJMRBTXEJE-UHFFFAOYSA-N
MW424.89 g/mol
LogP3.80
Rot. Bonds6

About N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide

N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide (PubChem CID 10002502) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide
PubChem CID10002502
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC NameN-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(COc2cccnc2)c1)c1ccnc(N2CCOCC2)c1
InChIInChI=1S/C22H21ClN4O3/c23-20-4-3-18(12-17(20)15-30-19-2-1-6-24-14-19)26-22(28)16-5-7-25-21(13-16)27-8-10-29-11-9-27/h1-7,12-14H,8-11,15H2,(H,26,28)
InChIKeyLNZRBJMRBTXEJE-UHFFFAOYSA-N
XLogP3.80
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 5328718
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CID 11574097
CID 11574097
CID 11639129
CID 11639129
CID 70679357
CID 70679357
CID 44586155
CID 44586155
CID 44586157
CID 44586157
CID 4128827
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CID 51037724
CID 51037724
CID 51037931
CID 51037931

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide (CID 10002502) is N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide is O=C(Nc1ccc(Cl)c(COc2cccnc2)c1)c1ccnc(N2CCOCC2)c1.
What is the InChIKey of N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide?
The InChIKey is LNZRBJMRBTXEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c23-20-4-3-18(12-17(20)15-30-19-2-1-6-24-14-19)26-22(28)16-5-7-25-21(13-16)27-8-10-29-11-9-27/h1-7,12-14H,8-11,15H2,(H,26,28).
What are the key properties of N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide?
N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide has a molecular weight of 424.89 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(pyridin-3-yloxymethyl)phenyl]-2-morpholin-4-ylpyridine-4-carboxamide is sourced from PubChem (CID 10002502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).