N-[3-[[1-(2-methylpropyl)indol-5-yl]amino]-3-oxopropyl]pyrazine-2-carboxamide

C20H23N5O2 — CID 75490351

IUPACN-[3-[[1-(2-methylpropyl)indol-5-yl]amino]-3-oxopropyl]pyrazine-2-carboxamide
SMILESCC(C)Cn1ccc2cc(NC(=O)CCNC(=O)c3cnccn3)ccc21
InChIInChI=1S/C20H23N5O2/c1-14(2)13-25-10-6-15-11-16(3-4-18(15)25)24-19(26)5-7-23-20(27)17-12-21-8-9-22-17/h3-4,6,8-12,14H,5,7,13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyVVZNOFPVIFLZEO-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.85
Rot. Bonds7

About N-[3-[[1-(2-methylpropyl)indol-5-yl]amino]-3-oxopropyl]pyrazine-2-carboxamide

N-[3-[[1-(2-methylpropyl)indol-5-yl]amino]-3-oxopropyl]pyrazine-2-carboxamide (PubChem CID 75490351) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[3-[[1-(2-methylpropyl)indol-5-yl]amino]-3-oxopropyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[1-(2-methylpropyl)indol-5-yl]amino]-3-oxopropyl]pyrazine-2-carboxamide
PubChem CID75490351
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[3-[[1-(2-methylpropyl)indol-5-yl]amino]-3-oxopropyl]pyrazine-2-carboxamide
SMILESCC(C)Cn1ccc2cc(NC(=O)CCNC(=O)c3cnccn3)ccc21
InChIInChI=1S/C20H23N5O2/c1-14(2)13-25-10-6-15-11-16(3-4-18(15)25)24-19(26)5-7-23-20(27)17-12-21-8-9-22-17/h3-4,6,8-12,14H,5,7,13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyVVZNOFPVIFLZEO-UHFFFAOYSA-N
XLogP2.85
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1H-indol-5-ylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 91821938
N-[1-(2-methoxyethyl)indol-5-yl]pyrazine-2-carboxamide
CID 51101814
3-[2-[[1-(2-methylpropyl)indol-5-yl]amino]-2-oxoethyl]imidazole-4-carboxylic acid
CID 166303690
N-(2-hydroxypropyl)-N'-[1-(2-methylpropyl)indol-5-yl]oxamide
CID 111435467
N-[1-(2-methylpropyl)indol-5-yl]pyrrolidine-1-carboxamide
CID 52865791
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[1-(2-methylpropyl)indol-5-yl]propanamide
CID 47080802
1-[1-(2-methylpropyl)indol-5-yl]-3-(thiophen-3-ylmethyl)urea
CID 56528070
1-(1-hydroxy-2-methylpropan-2-yl)-3-[1-(2-methylpropyl)indol-5-yl]urea
CID 111976911
N-[1-(2-methylpropyl)indol-5-yl]thiomorpholine-4-carboxamide
CID 52865783
2-(1,2-benzoxazol-3-yl)-N-[1-(2-methylpropyl)indol-5-yl]acetamide
CID 71884844
1-[1-(2-methylpropyl)indol-5-yl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 56527610
cis-(1R,2S)-N-[3-[(1-ethylindol-5-yl)amino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 94800980

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(2-methylpropyl)indol-5-yl]amino]-3-oxopropyl]pyrazine-2-carboxamide?
The IUPAC name of N-[3-[[1-(2-methylpropyl)indol-5-yl]amino]-3-oxopropyl]pyrazine-2-carboxamide (CID 75490351) is N-[3-[[1-(2-methylpropyl)indol-5-yl]amino]-3-oxopropyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[[1-(2-methylpropyl)indol-5-yl]amino]-3-oxopropyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[3-[[1-(2-methylpropyl)indol-5-yl]amino]-3-oxopropyl]pyrazine-2-carboxamide is CC(C)Cn1ccc2cc(NC(=O)CCNC(=O)c3cnccn3)ccc21.
What is the InChIKey of N-[3-[[1-(2-methylpropyl)indol-5-yl]amino]-3-oxopropyl]pyrazine-2-carboxamide?
The InChIKey is VVZNOFPVIFLZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-14(2)13-25-10-6-15-11-16(3-4-18(15)25)24-19(26)5-7-23-20(27)17-12-21-8-9-22-17/h3-4,6,8-12,14H,5,7,13H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of N-[3-[[1-(2-methylpropyl)indol-5-yl]amino]-3-oxopropyl]pyrazine-2-carboxamide?
N-[3-[[1-(2-methylpropyl)indol-5-yl]amino]-3-oxopropyl]pyrazine-2-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(2-methylpropyl)indol-5-yl]amino]-3-oxopropyl]pyrazine-2-carboxamide is sourced from PubChem (CID 75490351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).