4-[[2-(propylamino)-4-pyridinyl]methyl]morpholine-3-carboxamide

C14H22N4O2 — CID 83096353

IUPAC4-[[2-(propylamino)-4-pyridinyl]methyl]morpholine-3-carboxamide
SMILESCCCNc1cc(CN2CCOCC2C(N)=O)ccn1
InChIInChI=1S/C14H22N4O2/c1-2-4-16-13-8-11(3-5-17-13)9-18-6-7-20-10-12(18)14(15)19/h3,5,8,12H,2,4,6-7,9-10H2,1H3,(H2,15,19)(H,16,17)
InChIKeyOHBDKLAFEGBKHV-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.59
Rot. Bonds6

About 4-[[2-(propylamino)-4-pyridinyl]methyl]morpholine-3-carboxamide

4-[[2-(propylamino)-4-pyridinyl]methyl]morpholine-3-carboxamide (PubChem CID 83096353) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-[[2-(propylamino)-4-pyridinyl]methyl]morpholine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(propylamino)-4-pyridinyl]methyl]morpholine-3-carboxamide
PubChem CID83096353
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-[[2-(propylamino)-4-pyridinyl]methyl]morpholine-3-carboxamide
SMILESCCCNc1cc(CN2CCOCC2C(N)=O)ccn1
InChIInChI=1S/C14H22N4O2/c1-2-4-16-13-8-11(3-5-17-13)9-18-6-7-20-10-12(18)14(15)19/h3,5,8,12H,2,4,6-7,9-10H2,1H3,(H2,15,19)(H,16,17)
InChIKeyOHBDKLAFEGBKHV-UHFFFAOYSA-N
XLogP0.59
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(propylamino)-4-pyridinyl]methyl]morpholine-3-carboxamide?
The IUPAC name of 4-[[2-(propylamino)-4-pyridinyl]methyl]morpholine-3-carboxamide (CID 83096353) is 4-[[2-(propylamino)-4-pyridinyl]methyl]morpholine-3-carboxamide.
What is the SMILES notation for 4-[[2-(propylamino)-4-pyridinyl]methyl]morpholine-3-carboxamide?
The canonical SMILES for 4-[[2-(propylamino)-4-pyridinyl]methyl]morpholine-3-carboxamide is CCCNc1cc(CN2CCOCC2C(N)=O)ccn1.
What is the InChIKey of 4-[[2-(propylamino)-4-pyridinyl]methyl]morpholine-3-carboxamide?
The InChIKey is OHBDKLAFEGBKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-4-16-13-8-11(3-5-17-13)9-18-6-7-20-10-12(18)14(15)19/h3,5,8,12H,2,4,6-7,9-10H2,1H3,(H2,15,19)(H,16,17).
What are the key properties of 4-[[2-(propylamino)-4-pyridinyl]methyl]morpholine-3-carboxamide?
4-[[2-(propylamino)-4-pyridinyl]methyl]morpholine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(propylamino)-4-pyridinyl]methyl]morpholine-3-carboxamide is sourced from PubChem (CID 83096353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).