N-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide

C15H23N3O3 — CID 124617634

IUPACN-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide
SMILESCN(C)CCCNC(=O)c1ccnc(O[C@H]2CCOC2)c1
InChIInChI=1S/C15H23N3O3/c1-18(2)8-3-6-17-15(19)12-4-7-16-14(10-12)21-13-5-9-20-11-13/h4,7,10,13H,3,5-6,8-9,11H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyYUEKXCXAXPSLBO-ZDUSSCGKSA-N
MW293.37 g/mol
LogP0.93
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide

N-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide (PubChem CID 124617634) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide
PubChem CID124617634
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC NameN-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide
SMILESCN(C)CCCNC(=O)c1ccnc(O[C@H]2CCOC2)c1
InChIInChI=1S/C15H23N3O3/c1-18(2)8-3-6-17-15(19)12-4-7-16-14(10-12)21-13-5-9-20-11-13/h4,7,10,13H,3,5-6,8-9,11H2,1-2H3,(H,17,19)/t13-/m0/s1
InChIKeyYUEKXCXAXPSLBO-ZDUSSCGKSA-N
XLogP0.93
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.93
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]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815235
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
N-(3,3-diphenylpropyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815243
N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 121160706
N-cyclohexyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815236
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
N-[2-(2-methylindol-1-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815307
(2S)-2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120525990
(2S)-4-methyl-2-[[2-[[2-(oxolan-3-yloxy)pyridine-4-carbonyl]amino]acetyl]amino]pentanoic acid
CID 120695356
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 126784792
2-(oxolan-3-yloxy)-N-(2-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 75504546
N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 166214316

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide (CID 124617634) is N-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide is CN(C)CCCNC(=O)c1ccnc(O[C@H]2CCOC2)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide?
The InChIKey is YUEKXCXAXPSLBO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-18(2)8-3-6-17-15(19)12-4-7-16-14(10-12)21-13-5-9-20-11-13/h4,7,10,13H,3,5-6,8-9,11H2,1-2H3,(H,17,19)/t13-/m0/s1.
What are the key properties of N-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide?
N-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide is sourced from PubChem (CID 124617634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).