N-[2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]amino]phenyl]pyridine-3-carboxamide

C17H17N3O4 — CID 95624411

IUPACN-[2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]amino]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(N[C@@H]2CCOC2=O)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C17H17N3O4/c1-23-15-9-12(19-14-6-8-24-17(14)22)4-5-13(15)20-16(21)11-3-2-7-18-10-11/h2-5,7,9-10,14,19H,6,8H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyDONRZRUGYWRFSD-CQSZACIVSA-N
MW327.34 g/mol
LogP2.07
Rot. Bonds5

About N-[2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]amino]phenyl]pyridine-3-carboxamide

N-[2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]amino]phenyl]pyridine-3-carboxamide (PubChem CID 95624411) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-[2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]amino]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]amino]phenyl]pyridine-3-carboxamide
PubChem CID95624411
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN-[2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]amino]phenyl]pyridine-3-carboxamide
SMILESCOc1cc(N[C@@H]2CCOC2=O)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C17H17N3O4/c1-23-15-9-12(19-14-6-8-24-17(14)22)4-5-13(15)20-16(21)11-3-2-7-18-10-11/h2-5,7,9-10,14,19H,6,8H2,1H3,(H,20,21)/t14-/m1/s1
InChIKeyDONRZRUGYWRFSD-CQSZACIVSA-N
XLogP2.07
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methoxy-4-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]phenyl]pyridine-3-carboxamide
CID 2852997
N-[2-methoxy-4-(pyrrolidine-2-carbonylamino)phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119845818
N-[4-[(2-amino-3-methylbutanoyl)amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 119845805
N-[2-methoxy-4-(pentanoylamino)phenyl]pyridine-3-carboxamide
CID 38661659
N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 38659868
N-[3-methoxy-4-(pyridine-3-carbonylamino)phenyl]quinoline-2-carboxamide
CID 38661634
N-(2-methoxy-4,5-dimethylphenyl)pyridine-3-carboxamide
CID 110776826
N-[4-(1-benzofuran-2-carbonylamino)-3-methoxyphenyl]pyridine-3-carboxamide
CID 1227074
N-[2-methoxy-4-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119845814
N-[2-methoxy-4-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]pyridine-3-carboxamide
CID 33491810
N-[4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methoxyphenyl]pyridine-3-carboxamide
CID 55671213
N-[2-methoxy-4-[(4-pyrazol-1-ylbenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 33492536

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]amino]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]amino]phenyl]pyridine-3-carboxamide (CID 95624411) is N-[2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]amino]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]amino]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]amino]phenyl]pyridine-3-carboxamide is COc1cc(N[C@@H]2CCOC2=O)ccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]amino]phenyl]pyridine-3-carboxamide?
The InChIKey is DONRZRUGYWRFSD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-23-15-9-12(19-14-6-8-24-17(14)22)4-5-13(15)20-16(21)11-3-2-7-18-10-11/h2-5,7,9-10,14,19H,6,8H2,1H3,(H,20,21)/t14-/m1/s1.
What are the key properties of N-[2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]amino]phenyl]pyridine-3-carboxamide?
N-[2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]amino]phenyl]pyridine-3-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-4-[[(3R)-2-oxooxolan-3-yl]amino]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 95624411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).