N-(3-methoxypropyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide

C15H21N3O4 — CID 109082639

IUPACN-(3-methoxypropyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1cc(C(=O)N2CCOCC2)ccn1
InChIInChI=1S/C15H21N3O4/c1-21-8-2-4-17-14(19)13-11-12(3-5-16-13)15(20)18-6-9-22-10-7-18/h3,5,11H,2,4,6-10H2,1H3,(H,17,19)
InChIKeyLQBDGHNDWVSYRB-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.32
Rot. Bonds6

About N-(3-methoxypropyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide

N-(3-methoxypropyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide (PubChem CID 109082639) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
PubChem CID109082639
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC NameN-(3-methoxypropyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
SMILESCOCCCNC(=O)c1cc(C(=O)N2CCOCC2)ccn1
InChIInChI=1S/C15H21N3O4/c1-21-8-2-4-17-14(19)13-11-12(3-5-16-13)15(20)18-6-9-22-10-7-18/h3,5,11H,2,4,6-10H2,1H3,(H,17,19)
InChIKeyLQBDGHNDWVSYRB-UHFFFAOYSA-N
XLogP0.32
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-methoxypropyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109082488
N-(3-methoxypropyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081193
N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109082685
N-[2-(4-methoxyphenoxy)ethyl]-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080378
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
4-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082770
N-(furan-2-ylmethyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082801
N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083009
4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206099
ethyl 4-[2-(butylcarbamoyl)pyridine-4-carbonyl]piperazine-1-carboxylate
CID 109079428
N-(2-methylpropyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109079570
4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109084053

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide (CID 109082639) is N-(3-methoxypropyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide is COCCCNC(=O)c1cc(C(=O)N2CCOCC2)ccn1.
What is the InChIKey of N-(3-methoxypropyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide?
The InChIKey is LQBDGHNDWVSYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-21-8-2-4-17-14(19)13-11-12(3-5-16-13)15(20)18-6-9-22-10-7-18/h3,5,11H,2,4,6-10H2,1H3,(H,17,19).
What are the key properties of N-(3-methoxypropyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide?
N-(3-methoxypropyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109082639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).