6-oxo-N,N-bis[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide

C16H22N2O4 — CID 94185139

IUPAC6-oxo-N,N-bis[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(c1ccc(=O)[nH]c1)N(C[C@H]1CCCO1)C[C@H]1CCCO1
InChIInChI=1S/C16H22N2O4/c19-15-6-5-12(9-17-15)16(20)18(10-13-3-1-7-21-13)11-14-4-2-8-22-14/h5-6,9,13-14H,1-4,7-8,10-11H2,(H,17,19)/t13-,14-/m1/s1
InChIKeyKDKBRVMORWMKEJ-ZIAGYGMSSA-N
MW306.36 g/mol
LogP1.18
Rot. Bonds5

About 6-oxo-N,N-bis[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide

6-oxo-N,N-bis[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 94185139) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 6-oxo-N,N-bis[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N,N-bis[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
PubChem CID94185139
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name6-oxo-N,N-bis[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(c1ccc(=O)[nH]c1)N(C[C@H]1CCCO1)C[C@H]1CCCO1
InChIInChI=1S/C16H22N2O4/c19-15-6-5-12(9-17-15)16(20)18(10-13-3-1-7-21-13)11-14-4-2-8-22-14/h5-6,9,13-14H,1-4,7-8,10-11H2,(H,17,19)/t13-,14-/m1/s1
InChIKeyKDKBRVMORWMKEJ-ZIAGYGMSSA-N
XLogP1.18
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide
CID 60734395
4-methoxy-N,N-bis[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94815353
N-[(2S)-1-(cyclohexylamino)-2-methyl-1-oxobutan-2-yl]-6-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 7107433
4-cyano-N-[[(2R)-oxolan-2-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 94817152
2-[carboxymethyl-(6-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
CID 63651939
3-methoxy-N,N-bis(oxolan-2-ylmethyl)benzamide
CID 51090259
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
3-amino-4-(dimethylamino)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61433455
(4R)-2-oxo-N,N-bis[[(2S)-oxolan-2-yl]methyl]imidazolidine-4-carboxamide
CID 98798751
2-bromo-N,N-bis(oxolan-2-ylmethyl)furan-3-carboxamide
CID 106853558
4-chloro-N-[2-(dimethylamino)ethyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 95282674
N-[2-(4-methylphenyl)ethyl]-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-4-carboxamide
CID 97070355

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N,N-bis[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N,N-bis[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide (CID 94185139) is 6-oxo-N,N-bis[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N,N-bis[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N,N-bis[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide is O=C(c1ccc(=O)[nH]c1)N(C[C@H]1CCCO1)C[C@H]1CCCO1.
What is the InChIKey of 6-oxo-N,N-bis[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is KDKBRVMORWMKEJ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H22N2O4/c19-15-6-5-12(9-17-15)16(20)18(10-13-3-1-7-21-13)11-14-4-2-8-22-14/h5-6,9,13-14H,1-4,7-8,10-11H2,(H,17,19)/t13-,14-/m1/s1.
What are the key properties of 6-oxo-N,N-bis[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide?
6-oxo-N,N-bis[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N,N-bis[[(2R)-oxolan-2-yl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 94185139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).