4-chloro-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide

C19H18ClN3O2 — CID 156585222

IUPAC4-chloro-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C19H18ClN3O2/c20-15-2-1-3-16-14(15)9-17(22-16)19(24)23-18-11-25-10-13(18)8-12-4-6-21-7-5-12/h1-7,9,13,18,22H,8,10-11H2,(H,23,24)/t13-,18+/m1/s1
InChIKeyINMWSSAMILJVLY-ACJLOTCBSA-N
MW355.83 g/mol
LogP3.20
Rot. Bonds4

About 4-chloro-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide

4-chloro-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide (PubChem CID 156585222) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 4-chloro-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide
PubChem CID156585222
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name4-chloro-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1cc2c(Cl)cccc2[nH]1
InChIInChI=1S/C19H18ClN3O2/c20-15-2-1-3-16-14(15)9-17(22-16)19(24)23-18-11-25-10-13(18)8-12-4-6-21-7-5-12/h1-7,9,13,18,22H,8,10-11H2,(H,23,24)/t13-,18+/m1/s1
InChIKeyINMWSSAMILJVLY-ACJLOTCBSA-N
XLogP3.20
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-4-chloro-1H-indole-2-carboxamide
CID 156584209
3-chloro-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-4-pyrrolidin-1-ylbenzamide
CID 135114938
3-methylsulfonyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134708693
4-chloro-1-methyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pyrrole-2-carboxamide
CID 135111451
4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135106892
N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclopentanecarboxamide
CID 135107014
2-(4-chlorophenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]quinoline-4-carboxamide
CID 135113691
N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 134695488
3,5-dimethoxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134695838
1-methyl-5-oxo-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-4H-1,2,4-triazole-3-carboxamide
CID 162637258
3,4-diethoxy-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134705516
4-hydroxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 135111249

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide (CID 156585222) is 4-chloro-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide is O=C(N[C@H]1COC[C@H]1Cc1ccncc1)c1cc2c(Cl)cccc2[nH]1.
What is the InChIKey of 4-chloro-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide?
The InChIKey is INMWSSAMILJVLY-ACJLOTCBSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c20-15-2-1-3-16-14(15)9-17(22-16)19(24)23-18-11-25-10-13(18)8-12-4-6-21-7-5-12/h1-7,9,13,18,22H,8,10-11H2,(H,23,24)/t13-,18+/m1/s1.
What are the key properties of 4-chloro-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide?
4-chloro-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide has a molecular weight of 355.83 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 156585222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).