N-(4-imidazol-1-ylbutyl)-6-morpholin-4-ylpyridine-3-carboxamide

C17H23N5O2 — CID 47073596

IUPACN-(4-imidazol-1-ylbutyl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NCCCCn1ccnc1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H23N5O2/c23-17(19-5-1-2-7-21-8-6-18-14-21)15-3-4-16(20-13-15)22-9-11-24-12-10-22/h3-4,6,8,13-14H,1-2,5,7,9-12H2,(H,19,23)
InChIKeyNJXJZGGWJRJPPA-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.32
Rot. Bonds7

About N-(4-imidazol-1-ylbutyl)-6-morpholin-4-ylpyridine-3-carboxamide

N-(4-imidazol-1-ylbutyl)-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 47073596) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(4-imidazol-1-ylbutyl)-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylbutyl)-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID47073596
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-(4-imidazol-1-ylbutyl)-6-morpholin-4-ylpyridine-3-carboxamide
SMILESO=C(NCCCCn1ccnc1)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C17H23N5O2/c23-17(19-5-1-2-7-21-8-6-18-14-21)15-3-4-16(20-13-15)22-9-11-24-12-10-22/h3-4,6,8,13-14H,1-2,5,7,9-12H2,(H,19,23)
InChIKeyNJXJZGGWJRJPPA-UHFFFAOYSA-N
XLogP1.32
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84570657
N-(3-imidazol-1-ylpropyl)-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68739075
4-(imidazol-1-ylmethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 38103395
6-morpholin-4-yl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 18142338
N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 25367128
6-chloro-N-(2-imidazol-1-ylethyl)pyridine-3-carboxamide
CID 47142380
N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 98786152
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 17065336
N-(3-imidazol-1-ylpropyl)isoquinoline-6-carboxamide
CID 110485164
N-[5-(3-fluoropropylcarbamoyl)-2,4-dimethylphenyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 126514787
6-morpholin-4-yl-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 724881

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylbutyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-imidazol-1-ylbutyl)-6-morpholin-4-ylpyridine-3-carboxamide (CID 47073596) is N-(4-imidazol-1-ylbutyl)-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-imidazol-1-ylbutyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-imidazol-1-ylbutyl)-6-morpholin-4-ylpyridine-3-carboxamide is O=C(NCCCCn1ccnc1)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of N-(4-imidazol-1-ylbutyl)-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is NJXJZGGWJRJPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c23-17(19-5-1-2-7-21-8-6-18-14-21)15-3-4-16(20-13-15)22-9-11-24-12-10-22/h3-4,6,8,13-14H,1-2,5,7,9-12H2,(H,19,23).
What are the key properties of N-(4-imidazol-1-ylbutyl)-6-morpholin-4-ylpyridine-3-carboxamide?
N-(4-imidazol-1-ylbutyl)-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylbutyl)-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 47073596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).