(2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide

C17H24N2O3 — CID 94801440

IUPAC(2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccnc(OC2CCCCC2)c1)[C@@H]1CCCO1
InChIInChI=1S/C17H24N2O3/c20-17(15-7-4-10-21-15)19-12-13-8-9-18-16(11-13)22-14-5-2-1-3-6-14/h8-9,11,14-15H,1-7,10,12H2,(H,19,20)/t15-/m0/s1
InChIKeyOMTLETMIDHAJLQ-HNNXBMFYSA-N
MW304.39 g/mol
LogP2.59
Rot. Bonds5

About (2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide

(2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide (PubChem CID 94801440) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide
PubChem CID94801440
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide
SMILESO=C(NCc1ccnc(OC2CCCCC2)c1)[C@@H]1CCCO1
InChIInChI=1S/C17H24N2O3/c20-17(15-7-4-10-21-15)19-12-13-8-9-18-16(11-13)22-14-5-2-1-3-6-14/h8-9,11,14-15H,1-7,10,12H2,(H,19,20)/t15-/m0/s1
InChIKeyOMTLETMIDHAJLQ-HNNXBMFYSA-N
XLogP2.59
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-(methylamino)acetamide
CID 120704184
1-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-[(2S,3R)-2-cyclopropyloxolan-3-yl]urea
CID 124874996
(3R)-N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-6-oxopiperidine-3-carboxamide
CID 94170855
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 52831460
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55659546
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]thiophene-3-carboxamide
CID 86981483
2-[[2-(oxan-4-yloxy)-4-pyridinyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977266
5-[(2-cyclohexyloxy-4-pyridinyl)methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120690264
(2S)-2-acetamido-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-methylbutanamide
CID 95301519
N-[[3-[(oxane-2-carbonylamino)methyl]phenyl]methyl]oxane-2-carboxamide
CID 127697163
1-(1,3-benzodioxol-5-ylmethyl)-3-[(2-cyclopentyloxy-4-pyridinyl)methyl]urea
CID 38276842
4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide
CID 38348110

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide (CID 94801440) is (2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide is O=C(NCc1ccnc(OC2CCCCC2)c1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide?
The InChIKey is OMTLETMIDHAJLQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-17(15-7-4-10-21-15)19-12-13-8-9-18-16(11-13)22-14-5-2-1-3-6-14/h8-9,11,14-15H,1-7,10,12H2,(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide?
(2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 94801440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).