N-[3-(dimethylamino)propyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide

C16H24N4O3 — CID 109103724

IUPACN-[3-(dimethylamino)propyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1cncc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C16H24N4O3/c1-19(2)5-3-4-18-15(21)13-10-14(12-17-11-13)16(22)20-6-8-23-9-7-20/h10-12H,3-9H2,1-2H3,(H,18,21)
InChIKeyJNJUXNHGASCOCX-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.24
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide

N-[3-(dimethylamino)propyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide (PubChem CID 109103724) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
PubChem CID109103724
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-[3-(dimethylamino)propyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1cncc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C16H24N4O3/c1-19(2)5-3-4-18-15(21)13-10-14(12-17-11-13)16(22)20-6-8-23-9-7-20/h10-12H,3-9H2,1-2H3,(H,18,21)
InChIKeyJNJUXNHGASCOCX-UHFFFAOYSA-N
XLogP0.24
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.24
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

N-[3-(dimethylamino)propyl]-4-(morpholine-4-carbonyl)benzamide
CID 109045407
N-[3-(dimethylamino)propyl]-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109229586
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
N,N-diethyl-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103773
N-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide
CID 167310023
N-[2-(dimethylamino)ethyl]-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109104067
N-[2-(3-chlorophenyl)ethyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103786
N-[3-(dimethylamino)propyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109229852
N-[3-(dimethylamino)propyl]morpholine-4-carboxamide
CID 3255795
5-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109103807
5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104366
5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 109104300

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide (CID 109103724) is N-[3-(dimethylamino)propyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide is CN(C)CCCNC(=O)c1cncc(C(=O)N2CCOCC2)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide?
The InChIKey is JNJUXNHGASCOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-19(2)5-3-4-18-15(21)13-10-14(12-17-11-13)16(22)20-6-8-23-9-7-20/h10-12H,3-9H2,1-2H3,(H,18,21).
What are the key properties of N-[3-(dimethylamino)propyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide?
N-[3-(dimethylamino)propyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-(morpholine-4-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109103724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).