6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide

C20H25ClN4O2 — CID 133364240

IUPAC6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide
SMILESCCC(Nc1ncc(C(N)=O)cc1Cl)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C20H25ClN4O2/c1-2-17(24-20-16(21)10-15(11-23-20)19(22)26)18-13-25(8-9-27-18)12-14-6-4-3-5-7-14/h3-7,10-11,17-18H,2,8-9,12-13H2,1H3,(H2,22,26)(H,23,24)
InChIKeyJIBPKXIVNBHKQR-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.93
Rot. Bonds7

About 6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide

6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide (PubChem CID 133364240) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide
PubChem CID133364240
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide
SMILESCCC(Nc1ncc(C(N)=O)cc1Cl)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C20H25ClN4O2/c1-2-17(24-20-16(21)10-15(11-23-20)19(22)26)18-13-25(8-9-27-18)12-14-6-4-3-5-7-14/h3-7,10-11,17-18H,2,8-9,12-13H2,1H3,(H2,22,26)(H,23,24)
InChIKeyJIBPKXIVNBHKQR-UHFFFAOYSA-N
XLogP2.93
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide?
The IUPAC name of 6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide (CID 133364240) is 6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide.
What is the SMILES notation for 6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide?
The canonical SMILES for 6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide is CCC(Nc1ncc(C(N)=O)cc1Cl)C1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide?
The InChIKey is JIBPKXIVNBHKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-2-17(24-20-16(21)10-15(11-23-20)19(22)26)18-13-25(8-9-27-18)12-14-6-4-3-5-7-14/h3-7,10-11,17-18H,2,8-9,12-13H2,1H3,(H2,22,26)(H,23,24).
What are the key properties of 6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide?
6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide has a molecular weight of 388.90 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide is sourced from PubChem (CID 133364240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).