N-methyl-4-[5-(propylamino)-3-pyridinyl]morpholine-3-carboxamide

C14H22N4O2 — CID 104535676

IUPACN-methyl-4-[5-(propylamino)-3-pyridinyl]morpholine-3-carboxamide
SMILESCCCNc1cncc(N2CCOCC2C(=O)NC)c1
InChIInChI=1S/C14H22N4O2/c1-3-4-17-11-7-12(9-16-8-11)18-5-6-20-10-13(18)14(19)15-2/h7-9,13,17H,3-6,10H2,1-2H3,(H,15,19)
InChIKeyCAVSAWXPMXMIOQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.85
Rot. Bonds5

About N-methyl-4-[5-(propylamino)-3-pyridinyl]morpholine-3-carboxamide

N-methyl-4-[5-(propylamino)-3-pyridinyl]morpholine-3-carboxamide (PubChem CID 104535676) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-methyl-4-[5-(propylamino)-3-pyridinyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[5-(propylamino)-3-pyridinyl]morpholine-3-carboxamide
PubChem CID104535676
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-methyl-4-[5-(propylamino)-3-pyridinyl]morpholine-3-carboxamide
SMILESCCCNc1cncc(N2CCOCC2C(=O)NC)c1
InChIInChI=1S/C14H22N4O2/c1-3-4-17-11-7-12(9-16-8-11)18-5-6-20-10-13(18)14(19)15-2/h7-9,13,17H,3-6,10H2,1-2H3,(H,15,19)
InChIKeyCAVSAWXPMXMIOQ-UHFFFAOYSA-N
XLogP0.85
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide
CID 104535677
N-ethyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide
CID 104535674
4-(5-amino-3-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 104535679
4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide
CID 104535670
N-methyl-4-[5-methyl-6-(propylamino)pyrimidin-4-yl]morpholine-3-carboxamide
CID 83105081
4-(6-amino-3-pyridinyl)-N-methylmorpholine-3-carboxamide
CID 83106485
4-(2-fluoro-4-pyridinyl)-N-propylmorpholine-3-carboxamide
CID 113367388
4-[6-(1-hydroxyethyl)-3-pyridinyl]-N-propylmorpholine-3-carboxamide
CID 83110890
4-(3-hydrazinyl-5-nitrophenyl)-N-methylmorpholine-3-carboxamide
CID 83104244
4-[3-(methylcarbamoyl)morpholin-4-yl]pyrimidine-5-carboxylic acid
CID 114214594
4-[4-(aminomethyl)-3-fluorophenyl]-N-propylmorpholine-3-carboxamide
CID 83097570
4-[5-ethyl-6-(ethylamino)pyrimidin-4-yl]-N-methylmorpholine-3-carboxamide
CID 83105672

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[5-(propylamino)-3-pyridinyl]morpholine-3-carboxamide?
The IUPAC name of N-methyl-4-[5-(propylamino)-3-pyridinyl]morpholine-3-carboxamide (CID 104535676) is N-methyl-4-[5-(propylamino)-3-pyridinyl]morpholine-3-carboxamide.
What is the SMILES notation for N-methyl-4-[5-(propylamino)-3-pyridinyl]morpholine-3-carboxamide?
The canonical SMILES for N-methyl-4-[5-(propylamino)-3-pyridinyl]morpholine-3-carboxamide is CCCNc1cncc(N2CCOCC2C(=O)NC)c1.
What is the InChIKey of N-methyl-4-[5-(propylamino)-3-pyridinyl]morpholine-3-carboxamide?
The InChIKey is CAVSAWXPMXMIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-4-17-11-7-12(9-16-8-11)18-5-6-20-10-13(18)14(19)15-2/h7-9,13,17H,3-6,10H2,1-2H3,(H,15,19).
What are the key properties of N-methyl-4-[5-(propylamino)-3-pyridinyl]morpholine-3-carboxamide?
N-methyl-4-[5-(propylamino)-3-pyridinyl]morpholine-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[5-(propylamino)-3-pyridinyl]morpholine-3-carboxamide is sourced from PubChem (CID 104535676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).