[2-[2-[[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]carbamic acid

C18H18FN5O3 — CID 118292951

IUPAC[2-[2-[[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]carbamic acid
SMILESO=C(O)NCC(=O)NCCNc1ccc(-c2c[nH]c3cc(F)ccc23)cn1
InChIInChI=1S/C18H18FN5O3/c19-12-2-3-13-14(9-22-15(13)7-12)11-1-4-16(23-8-11)20-5-6-21-17(25)10-24-18(26)27/h1-4,7-9,22,24H,5-6,10H2,(H,20,23)(H,21,25)(H,26,27)
InChIKeyGJYUFTLQWBLXNP-UHFFFAOYSA-N
MW371.37 g/mol
LogP2.16
Rot. Bonds7

About [2-[2-[[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]carbamic acid

[2-[2-[[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]carbamic acid (PubChem CID 118292951) has the molecular formula C18H18FN5O3 and a molecular weight of 371.37 g/mol. Its IUPAC name is [2-[2-[[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]carbamic acid.

Molecular Properties

Compound Name[2-[2-[[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]carbamic acid
PubChem CID118292951
Molecular FormulaC18H18FN5O3
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Name[2-[2-[[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]carbamic acid
SMILESO=C(O)NCC(=O)NCCNc1ccc(-c2c[nH]c3cc(F)ccc23)cn1
InChIInChI=1S/C18H18FN5O3/c19-12-2-3-13-14(9-22-15(13)7-12)11-1-4-16(23-8-11)20-5-6-21-17(25)10-24-18(26)27/h1-4,7-9,22,24H,5-6,10H2,(H,20,23)(H,21,25)(H,26,27)
InChIKeyGJYUFTLQWBLXNP-UHFFFAOYSA-N
XLogP2.16
TPSA119.14 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

N-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
CID 118293044
1-amino-7-[[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]amino]heptan-2-one
CID 123723251
6-fluoro-3-(6-nitro-3-pyridinyl)-1H-indole
CID 144902248
5-(6-fluoro-1H-indol-3-yl)-1,3-oxazole-2-carboxylic acid
CID 82384701
1-carbamoyl-3-[[6-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]methyl]urea
CID 118400715
6-fluoro-3-(2-methyl-4-pyridinyl)-1H-indole
CID 160738701
2-amino-1-[4-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 118292934
tert-butyl N-[3-[[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]imino]-1-phenylbutan-2-yl]carbamate
CID 123657669
1-[5-(6-fluoro-1H-indol-3-yl)-2-methylphenyl]-N-methylmethanimine
CID 144924000
N-[2-[2-(6-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 60607228
[6-(cyclopropylmethylamino)-3-pyridinyl]-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 146075595
tert-butyl-[[5-(6-fluoro-1H-indol-3-yl)-1,3-benzoxazol-2-yl]methyl]carbamic acid
CID 118382731

Frequently Asked Questions

What is the IUPAC name of [2-[2-[[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]carbamic acid?
The IUPAC name of [2-[2-[[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]carbamic acid (CID 118292951) is [2-[2-[[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]carbamic acid.
What is the SMILES notation for [2-[2-[[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]carbamic acid?
The canonical SMILES for [2-[2-[[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]carbamic acid is O=C(O)NCC(=O)NCCNc1ccc(-c2c[nH]c3cc(F)ccc23)cn1.
What is the InChIKey of [2-[2-[[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]carbamic acid?
The InChIKey is GJYUFTLQWBLXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3/c19-12-2-3-13-14(9-22-15(13)7-12)11-1-4-16(23-8-11)20-5-6-21-17(25)10-24-18(26)27/h1-4,7-9,22,24H,5-6,10H2,(H,20,23)(H,21,25)(H,26,27).
What are the key properties of [2-[2-[[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]carbamic acid?
[2-[2-[[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]carbamic acid has a molecular weight of 371.37 g/mol, XLogP of 2.16, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]carbamic acid is sourced from PubChem (CID 118292951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).