N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide

C17H26N3O3+ — CID 2454277

IUPACN-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C17H25N3O3/c21-15-5-4-14(12-18-15)16(22)19-13-17(6-2-1-3-7-17)20-8-10-23-11-9-20/h4-5,12H,1-3,6-11,13H2,(H,18,21)(H,19,22)/p+1
InChIKeyGHJVAKIWFKRZEP-UHFFFAOYSA-O
MW320.41 g/mol
LogP-0.28
Rot. Bonds4

About N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide

N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 2454277) has the molecular formula C17H26N3O3+ and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID2454277
Molecular FormulaC17H26N3O3+
Molecular Weight320.41 g/mol
Exact Mass320.20
IUPAC NameN-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C17H25N3O3/c21-15-5-4-14(12-18-15)16(22)19-13-17(6-2-1-3-7-17)20-8-10-23-11-9-20/h4-5,12H,1-3,6-11,13H2,(H,18,21)(H,19,22)/p+1
InChIKeyGHJVAKIWFKRZEP-UHFFFAOYSA-O
XLogP-0.28
TPSA75.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 2454277) is N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is GHJVAKIWFKRZEP-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H25N3O3/c21-15-5-4-14(12-18-15)16(22)19-13-17(6-2-1-3-7-17)20-8-10-23-11-9-20/h4-5,12H,1-3,6-11,13H2,(H,18,21)(H,19,22)/p+1.
What are the key properties of N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 320.41 g/mol, XLogP of -0.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 2454277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).