N-[2-methyl-3-[8-(methylcarbamoylamino)-5,6-dihydroimidazo[1,2-a]pyridin-6-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine-1-carboxamide

C21H28N6O2 — CID 71001372

IUPACN-[2-methyl-3-[8-(methylcarbamoylamino)-5,6-dihydroimidazo[1,2-a]pyridin-6-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine-1-carboxamide
SMILESCNC(=O)NC1=CC(C2CC=CC(NC(=O)N3CCCC3)=C2C)Cn2ccnc21
InChIInChI=1S/C21H28N6O2/c1-14-16(6-5-7-17(14)25-21(29)26-9-3-4-10-26)15-12-18(24-20(28)22-2)19-23-8-11-27(19)13-15/h5,7-8,11-12,15-16H,3-4,6,9-10,13H2,1-2H3,(H,25,29)(H2,22,24,28)
InChIKeyGMRJSFWUMCXFHW-UHFFFAOYSA-N
MW396.50 g/mol
LogP2.44
Rot. Bonds3

About N-[2-methyl-3-[8-(methylcarbamoylamino)-5,6-dihydroimidazo[1,2-a]pyridin-6-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine-1-carboxamide

N-[2-methyl-3-[8-(methylcarbamoylamino)-5,6-dihydroimidazo[1,2-a]pyridin-6-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine-1-carboxamide (PubChem CID 71001372) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is N-[2-methyl-3-[8-(methylcarbamoylamino)-5,6-dihydroimidazo[1,2-a]pyridin-6-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-[8-(methylcarbamoylamino)-5,6-dihydroimidazo[1,2-a]pyridin-6-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine-1-carboxamide
PubChem CID71001372
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC NameN-[2-methyl-3-[8-(methylcarbamoylamino)-5,6-dihydroimidazo[1,2-a]pyridin-6-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine-1-carboxamide
SMILESCNC(=O)NC1=CC(C2CC=CC(NC(=O)N3CCCC3)=C2C)Cn2ccnc21
InChIInChI=1S/C21H28N6O2/c1-14-16(6-5-7-17(14)25-21(29)26-9-3-4-10-26)15-12-18(24-20(28)22-2)19-23-8-11-27(19)13-15/h5,7-8,11-12,15-16H,3-4,6,9-10,13H2,1-2H3,(H,25,29)(H2,22,24,28)
InChIKeyGMRJSFWUMCXFHW-UHFFFAOYSA-N
XLogP2.44
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[8-(methylcarbamoylamino)-5,6-dihydroimidazo[1,2-a]pyridin-6-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-methyl-3-[8-(methylcarbamoylamino)-5,6-dihydroimidazo[1,2-a]pyridin-6-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine-1-carboxamide (CID 71001372) is N-[2-methyl-3-[8-(methylcarbamoylamino)-5,6-dihydroimidazo[1,2-a]pyridin-6-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-methyl-3-[8-(methylcarbamoylamino)-5,6-dihydroimidazo[1,2-a]pyridin-6-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-methyl-3-[8-(methylcarbamoylamino)-5,6-dihydroimidazo[1,2-a]pyridin-6-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine-1-carboxamide is CNC(=O)NC1=CC(C2CC=CC(NC(=O)N3CCCC3)=C2C)Cn2ccnc21.
What is the InChIKey of N-[2-methyl-3-[8-(methylcarbamoylamino)-5,6-dihydroimidazo[1,2-a]pyridin-6-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine-1-carboxamide?
The InChIKey is GMRJSFWUMCXFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-14-16(6-5-7-17(14)25-21(29)26-9-3-4-10-26)15-12-18(24-20(28)22-2)19-23-8-11-27(19)13-15/h5,7-8,11-12,15-16H,3-4,6,9-10,13H2,1-2H3,(H,25,29)(H2,22,24,28).
What are the key properties of N-[2-methyl-3-[8-(methylcarbamoylamino)-5,6-dihydroimidazo[1,2-a]pyridin-6-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine-1-carboxamide?
N-[2-methyl-3-[8-(methylcarbamoylamino)-5,6-dihydroimidazo[1,2-a]pyridin-6-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine-1-carboxamide has a molecular weight of 396.50 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[8-(methylcarbamoylamino)-5,6-dihydroimidazo[1,2-a]pyridin-6-yl]cyclohexa-1,5-dien-1-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71001372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).