(3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide

C30H26ClN3O — CID 98926923

IUPAC(3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(C[C@H](c1ccc(Cl)cc1)c1cn(Cc2ccccc2)c2ccccc12)NCc1ccncc1
InChIInChI=1S/C30H26ClN3O/c31-25-12-10-24(11-13-25)27(18-30(35)33-19-22-14-16-32-17-15-22)28-21-34(20-23-6-2-1-3-7-23)29-9-5-4-8-26(28)29/h1-17,21,27H,18-20H2,(H,33,35)/t27-/m1/s1
InChIKeySUISOIYYLRTXKW-HHHXNRCGSA-N
MW480.01 g/mol
LogP6.58
Rot. Bonds8

About (3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide

(3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 98926923) has the molecular formula C30H26ClN3O and a molecular weight of 480.01 g/mol. Its IUPAC name is (3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name(3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
PubChem CID98926923
Molecular FormulaC30H26ClN3O
Molecular Weight480.01 g/mol
Exact Mass479.18
IUPAC Name(3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide
SMILESO=C(C[C@H](c1ccc(Cl)cc1)c1cn(Cc2ccccc2)c2ccccc12)NCc1ccncc1
InChIInChI=1S/C30H26ClN3O/c31-25-12-10-24(11-13-25)27(18-30(35)33-19-22-14-16-32-17-15-22)28-21-34(20-23-6-2-1-3-7-23)29-9-5-4-8-26(28)29/h1-17,21,27H,18-20H2,(H,33,35)/t27-/m1/s1
InChIKeySUISOIYYLRTXKW-HHHXNRCGSA-N
XLogP6.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.01
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(1-benzylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 98926938
(3R)-3-(1-benzylindol-3-yl)-N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 98926939
(3S)-3-(1-benzylindol-3-yl)-3-(4-ethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 98524903
(3S)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 98443722
(3R)-3-(1-benzylindol-3-yl)-3-(3,5-dimethoxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 93110594
3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 3481488
(3S)-3-(3-chlorophenyl)-3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 92950106
(3S)-3-(2-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)propanamide
CID 98773661
3-[1-[(4-fluorophenyl)methyl]indol-3-yl]-N-(pyridin-4-ylmethyl)-3-thiophen-2-ylpropanamide
CID 4259550
3-(1-benzylindol-3-yl)-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 90488642
3-(1-benzylindol-3-yl)-3-(4-fluorophenyl)-N-(furan-2-ylmethyl)propanamide
CID 4578736
(3R)-N-benzyl-3-(4-chlorophenyl)-3-(1,7-diethylindol-3-yl)propanamide
CID 93120110

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide?
The IUPAC name of (3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide (CID 98926923) is (3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide.
What is the SMILES notation for (3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide?
The canonical SMILES for (3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide is O=C(C[C@H](c1ccc(Cl)cc1)c1cn(Cc2ccccc2)c2ccccc12)NCc1ccncc1.
What is the InChIKey of (3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide?
The InChIKey is SUISOIYYLRTXKW-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H26ClN3O/c31-25-12-10-24(11-13-25)27(18-30(35)33-19-22-14-16-32-17-15-22)28-21-34(20-23-6-2-1-3-7-23)29-9-5-4-8-26(28)29/h1-17,21,27H,18-20H2,(H,33,35)/t27-/m1/s1.
What are the key properties of (3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide?
(3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 480.01 g/mol, XLogP of 6.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-benzylindol-3-yl)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 98926923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).