N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide

C16H23N3O2 — CID 38528657

IUPACN-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2)nc1)C1CCOCC1
InChIInChI=1S/C16H23N3O2/c20-16(14-5-9-21-10-6-14)18-12-13-3-4-15(17-11-13)19-7-1-2-8-19/h3-4,11,14H,1-2,5-10,12H2,(H,18,20)
InChIKeyBSHDSWFEBWXUJQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.72
Rot. Bonds4

About N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide

N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide (PubChem CID 38528657) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
PubChem CID38528657
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2)nc1)C1CCOCC1
InChIInChI=1S/C16H23N3O2/c20-16(14-5-9-21-10-6-14)18-12-13-3-4-15(17-11-13)19-7-1-2-8-19/h3-4,11,14H,1-2,5-10,12H2,(H,18,20)
InChIKeyBSHDSWFEBWXUJQ-UHFFFAOYSA-N
XLogP1.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 119399620
3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide
CID 119846498
1-(furan-2-carbonyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 18139630
1-[[(3R)-oxolan-3-yl]methyl]-3-[(6-piperidin-1-yl-3-pyridinyl)methyl]urea
CID 94172517
2-oxo-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]imidazolidine-4-carboxamide
CID 71877710
N-(6-piperidin-1-yl-3-pyridinyl)oxane-4-carboxamide
CID 30179936
2-[(2S)-oxolan-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 94025809
(5R)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 99992040
6-[3-[(oxane-4-carbonylamino)methyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 131945133
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119839468
N-[(4-chlorophenyl)methyl]-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39705993
3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119846500

Frequently Asked Questions

What is the IUPAC name of N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide?
The IUPAC name of N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide (CID 38528657) is N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide?
The canonical SMILES for N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide is O=C(NCc1ccc(N2CCCC2)nc1)C1CCOCC1.
What is the InChIKey of N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide?
The InChIKey is BSHDSWFEBWXUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-16(14-5-9-21-10-6-14)18-12-13-3-4-15(17-11-13)19-7-1-2-8-19/h3-4,11,14H,1-2,5-10,12H2,(H,18,20).
What are the key properties of N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide?
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 38528657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).