N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide

C16H25N3O2 — CID 113015387

IUPACN-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide
SMILESCCCCN(C)c1ccc(NC(=O)C2CCOCC2)cn1
InChIInChI=1S/C16H25N3O2/c1-3-4-9-19(2)15-6-5-14(12-17-15)18-16(20)13-7-10-21-11-8-13/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,18,20)
InChIKeyRCEJEQCMLTXYEG-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.68
Rot. Bonds6

About N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide

N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide (PubChem CID 113015387) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide
PubChem CID113015387
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide
SMILESCCCCN(C)c1ccc(NC(=O)C2CCOCC2)cn1
InChIInChI=1S/C16H25N3O2/c1-3-4-9-19(2)15-6-5-14(12-17-15)18-16(20)13-7-10-21-11-8-13/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,18,20)
InChIKeyRCEJEQCMLTXYEG-UHFFFAOYSA-N
XLogP2.68
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-[butyl(methyl)amino]pyridazin-3-yl]oxane-4-carboxamide
CID 113044823
N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclopropanecarboxamide
CID 113011952
N-[6-[butyl(methyl)amino]-3-pyridinyl]-2-phenylacetamide
CID 113015350
N-(6-amino-3-pyridinyl)oxane-4-carboxamide;hydrochloride
CID 119514919
N-[6-[2-[butyl(methyl)amino]-2-oxoethoxy]-3-pyridinyl]cyclopropanecarboxamide
CID 53175000
2-bromo-N-[6-[butyl(methyl)amino]-3-pyridinyl]benzamide
CID 113015333
N-[6-[butyl(methyl)amino]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113015372
N-[6-[benzyl(methyl)amino]-3-pyridinyl]cyclohexanecarboxamide
CID 113011955
N-[5-[butyl(methyl)amino]-2-pyridinyl]cyclopropanecarboxamide
CID 113030505
N-[4-(diethylamino)phenyl]oxane-4-carboxamide
CID 51188941
2-(2-bromophenyl)-N-[6-[butyl(methyl)amino]-3-pyridinyl]acetamide
CID 113015385
N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617

Frequently Asked Questions

What is the IUPAC name of N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide?
The IUPAC name of N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide (CID 113015387) is N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide.
What is the SMILES notation for N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide?
The canonical SMILES for N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide is CCCCN(C)c1ccc(NC(=O)C2CCOCC2)cn1.
What is the InChIKey of N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide?
The InChIKey is RCEJEQCMLTXYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-4-9-19(2)15-6-5-14(12-17-15)18-16(20)13-7-10-21-11-8-13/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,18,20).
What are the key properties of N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide?
N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[butyl(methyl)amino]-3-pyridinyl]oxane-4-carboxamide is sourced from PubChem (CID 113015387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).