N-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]thiophene-2-carboxamide

C20H18N4OS — CID 113013820

IUPACN-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NCCc2c[nH]c3ccccc23)nc1)c1cccs1
InChIInChI=1S/C20H18N4OS/c25-20(18-6-3-11-26-18)24-15-7-8-19(23-13-15)21-10-9-14-12-22-17-5-2-1-4-16(14)17/h1-8,11-13,22H,9-10H2,(H,21,23)(H,24,25)
InChIKeyWDPJBVLNTXYUSL-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.53
Rot. Bonds6

About N-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]thiophene-2-carboxamide

N-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 113013820) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is N-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]thiophene-2-carboxamide
PubChem CID113013820
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC NameN-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NCCc2c[nH]c3ccccc23)nc1)c1cccs1
InChIInChI=1S/C20H18N4OS/c25-20(18-6-3-11-26-18)24-15-7-8-19(23-13-15)21-10-9-14-12-22-17-5-2-1-4-16(14)17/h1-8,11-13,22H,9-10H2,(H,21,23)(H,24,25)
InChIKeyWDPJBVLNTXYUSL-UHFFFAOYSA-N
XLogP4.53
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]-3-propan-2-ylurea
CID 113013854
N-[2-(1H-indol-3-yl)ethyl]thiophene-2-carboxamide;oxalic acid
CID 17365887
N-(3-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109159728
3,4-difluoro-N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]benzamide
CID 113028912
N-(4-fluorophenyl)-6-[2-(1H-indol-3-yl)ethylamino]pyrimidine-4-carboxamide
CID 109352217
1-cyclopropyl-3-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]urea
CID 113028926
6-[2-(1H-indol-3-yl)ethylamino]-N-methyl-N-phenylpyridine-3-carboxamide
CID 109159705
N-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]thiophene-2-carboxamide
CID 71701878
N-[5-[2-(1H-indol-3-yl)ethylamino]-2-pyridinyl]oxane-4-carboxamide
CID 113028924
N,N-diethyl-6-[2-(1H-indol-3-yl)ethylamino]pyridine-3-carboxamide
CID 109159691
N-[1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 51299013
6-[2-(1H-indol-3-yl)ethylamino]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151886

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]thiophene-2-carboxamide (CID 113013820) is N-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]thiophene-2-carboxamide is O=C(Nc1ccc(NCCc2c[nH]c3ccccc23)nc1)c1cccs1.
What is the InChIKey of N-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is WDPJBVLNTXYUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c25-20(18-6-3-11-26-18)24-15-7-8-19(23-13-15)21-10-9-14-12-22-17-5-2-1-4-16(14)17/h1-8,11-13,22H,9-10H2,(H,21,23)(H,24,25).
What are the key properties of N-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]thiophene-2-carboxamide?
N-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 4.53, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(1H-indol-3-yl)ethylamino]-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 113013820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).