N-[2-(1H-indol-3-yl)ethyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide

C20H21N3O2S — CID 100734079

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccnc(O[C@@H]2CCSC2)c1
InChIInChI=1S/C20H21N3O2S/c24-20(14-5-8-21-19(11-14)25-16-7-10-26-13-16)22-9-6-15-12-23-18-4-2-1-3-17(15)18/h1-5,8,11-12,16,23H,6-7,9-10,13H2,(H,22,24)/t16-/m1/s1
InChIKeyCBUKGHGCJCLGQU-MRXNPFEDSA-N
MW367.47 g/mol
LogP3.42
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide (PubChem CID 100734079) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
PubChem CID100734079
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1ccnc(O[C@@H]2CCSC2)c1
InChIInChI=1S/C20H21N3O2S/c24-20(14-5-8-21-19(11-14)25-16-7-10-26-13-16)22-9-6-15-12-23-18-4-2-1-3-17(15)18/h1-5,8,11-12,16,23H,6-7,9-10,13H2,(H,22,24)/t16-/m1/s1
InChIKeyCBUKGHGCJCLGQU-MRXNPFEDSA-N
XLogP3.42
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cycloheptylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109173684
2-(cyclohexylamino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109166332
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-thiolan-3-yl]oxypyridine-4-carboxamide
CID 100734053
2-anilino-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 109173692
2-imidazol-1-yl-N-[2-(1H-indol-3-yl)ethyl]pyridine-4-carboxamide
CID 51089952
N-(1H-indol-3-ylmethyl)-2-(thiolan-3-yloxy)pyridine-3-carboxamide
CID 91815756
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
2-N-[2-(1H-indol-3-yl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088487
N-[2-(1H-indol-3-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 18532713
1-N-[2-(1H-indol-3-yl)ethyl]-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 109052528
N-[2-(1H-indol-3-yl)ethyl]-2-(prop-2-enylamino)pyridine-4-carboxamide
CID 109165348
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide (CID 100734079) is N-[2-(1H-indol-3-yl)ethyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1ccnc(O[C@@H]2CCSC2)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide?
The InChIKey is CBUKGHGCJCLGQU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N3O2S/c24-20(14-5-8-21-19(11-14)25-16-7-10-26-13-16)22-9-6-15-12-23-18-4-2-1-3-17(15)18/h1-5,8,11-12,16,23H,6-7,9-10,13H2,(H,22,24)/t16-/m1/s1.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-[(3R)-thiolan-3-yl]oxypyridine-4-carboxamide is sourced from PubChem (CID 100734079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).