(2R)-N-[3-[[(3,5-dichloro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide

C17H17Cl2N3O2 — CID 100663858

IUPAC(2R)-N-[3-[[(3,5-dichloro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(CNc2ncc(Cl)cc2Cl)c1)[C@H]1CCCO1
InChIInChI=1S/C17H17Cl2N3O2/c18-12-8-14(19)16(21-10-12)20-9-11-3-1-4-13(7-11)22-17(23)15-5-2-6-24-15/h1,3-4,7-8,10,15H,2,5-6,9H2,(H,20,21)(H,22,23)/t15-/m1/s1
InChIKeyRODMCTYCICSGDF-OAHLLOKOSA-N
MW366.25 g/mol
LogP4.12
Rot. Bonds5

About (2R)-N-[3-[[(3,5-dichloro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide

(2R)-N-[3-[[(3,5-dichloro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide (PubChem CID 100663858) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is (2R)-N-[3-[[(3,5-dichloro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[[(3,5-dichloro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide
PubChem CID100663858
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Name(2R)-N-[3-[[(3,5-dichloro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(CNc2ncc(Cl)cc2Cl)c1)[C@H]1CCCO1
InChIInChI=1S/C17H17Cl2N3O2/c18-12-8-14(19)16(21-10-12)20-9-11-3-1-4-13(7-11)22-17(23)15-5-2-6-24-15/h1,3-4,7-8,10,15H,2,5-6,9H2,(H,20,21)(H,22,23)/t15-/m1/s1
InChIKeyRODMCTYCICSGDF-OAHLLOKOSA-N
XLogP4.12
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[3-[[(3,5-dichloro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide with MolForge

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Related Compounds

N-[3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]oxolane-2-carboxamide
CID 47982074
N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 60586470
N-[3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]phenyl]oxolane-2-carboxamide
CID 133274136
N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 133442683
N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839
(2S)-N-[3-[[(3-nitro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 94825831
N-[3-[[[N-[(2,4-dichlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]oxolane-2-carboxamide
CID 111198010
6-[[3-(oxolane-2-carbonylamino)phenyl]methylamino]pyridine-2-carboxylic acid
CID 122047903
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-ethyl-4-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methylamino]pyridine-2-carboxamide
CID 97315172
N-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46593147
4-[[3-(oxolane-2-carbonylamino)phenyl]methylcarbamoyl]benzoic acid
CID 119182538

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[[(3,5-dichloro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-[[(3,5-dichloro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide (CID 100663858) is (2R)-N-[3-[[(3,5-dichloro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[[(3,5-dichloro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[[(3,5-dichloro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide is O=C(Nc1cccc(CNc2ncc(Cl)cc2Cl)c1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[3-[[(3,5-dichloro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide?
The InChIKey is RODMCTYCICSGDF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17Cl2N3O2/c18-12-8-14(19)16(21-10-12)20-9-11-3-1-4-13(7-11)22-17(23)15-5-2-6-24-15/h1,3-4,7-8,10,15H,2,5-6,9H2,(H,20,21)(H,22,23)/t15-/m1/s1.
What are the key properties of (2R)-N-[3-[[(3,5-dichloro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide?
(2R)-N-[3-[[(3,5-dichloro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide has a molecular weight of 366.25 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[[(3,5-dichloro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 100663858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).