N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide

C20H22N2O2 — CID 134695488

IUPACN-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C1Cc2ccccc2C1
InChIInChI=1S/C20H22N2O2/c23-20(17-10-15-3-1-2-4-16(15)11-17)22-19-13-24-12-18(19)9-14-5-7-21-8-6-14/h1-8,17-19H,9-13H2,(H,22,23)/t18-,19-/m1/s1
InChIKeyXNMKYDODWJFPGH-RTBURBONSA-N
MW322.41 g/mol
LogP2.17
Rot. Bonds4

About N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide

N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 134695488) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID134695488
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C1Cc2ccccc2C1
InChIInChI=1S/C20H22N2O2/c23-20(17-10-15-3-1-2-4-16(15)11-17)22-19-13-24-12-18(19)9-14-5-7-21-8-6-14/h1-8,17-19H,9-13H2,(H,22,23)/t18-,19-/m1/s1
InChIKeyXNMKYDODWJFPGH-RTBURBONSA-N
XLogP2.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclopentanecarboxamide
CID 135107014
4-hydroxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 135111249
4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 134712104
(3S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-4-(pyridin-4-ylmethyl)oxolan-3-amine
CID 135097042
1-(2-hydroxyethyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide
CID 135096686
1-cyclohexyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide
CID 135107430
1-(2-methylpropanoyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide
CID 135092036
4-phenyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]butanamide
CID 134712464
2-oxo-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-pyrrolidin-1-ylacetamide
CID 135094092
2-(4-methoxyphenyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134697379
2-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134699637
2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134705560

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide (CID 134695488) is N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide is O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C1Cc2ccccc2C1.
What is the InChIKey of N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is XNMKYDODWJFPGH-RTBURBONSA-N. The full InChI is InChI=1S/C20H22N2O2/c23-20(17-10-15-3-1-2-4-16(15)11-17)22-19-13-24-12-18(19)9-14-5-7-21-8-6-14/h1-8,17-19H,9-13H2,(H,22,23)/t18-,19-/m1/s1.
What are the key properties of N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide?
N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 134695488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).