N-[2-methyl-5-[(1S)-1-(phenylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

C24H23N5O2 — CID 86763924

IUPACN-[2-methyl-5-[(1S)-1-(phenylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)Nc2ccccc2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C24H23N5O2/c1-16-11-12-18(17(2)26-24(31)27-19-8-4-3-5-9-19)14-20(16)28-23(30)21-15-25-22-10-6-7-13-29(21)22/h3-15,17H,1-2H3,(H,28,30)(H2,26,27,31)/t17-/m0/s1
InChIKeyWRRRUTZYQAQDCB-KRWDZBQOSA-N
MW413.48 g/mol
LogP4.78
Rot. Bonds5

About N-[2-methyl-5-[(1S)-1-(phenylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[2-methyl-5-[(1S)-1-(phenylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 86763924) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[2-methyl-5-[(1S)-1-(phenylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[(1S)-1-(phenylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID86763924
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC NameN-[2-methyl-5-[(1S)-1-(phenylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc([C@H](C)NC(=O)Nc2ccccc2)cc1NC(=O)c1cnc2ccccn12
InChIInChI=1S/C24H23N5O2/c1-16-11-12-18(17(2)26-24(31)27-19-8-4-3-5-9-19)14-20(16)28-23(30)21-15-25-22-10-6-7-13-29(21)22/h3-15,17H,1-2H3,(H,28,30)(H2,26,27,31)/t17-/m0/s1
InChIKeyWRRRUTZYQAQDCB-KRWDZBQOSA-N
XLogP4.78
TPSA87.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[(1S)-1-(phenylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-methyl-5-[(1S)-1-(phenylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 86763924) is N-[2-methyl-5-[(1S)-1-(phenylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[(1S)-1-(phenylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methyl-5-[(1S)-1-(phenylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc([C@H](C)NC(=O)Nc2ccccc2)cc1NC(=O)c1cnc2ccccn12.
What is the InChIKey of N-[2-methyl-5-[(1S)-1-(phenylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is WRRRUTZYQAQDCB-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-16-11-12-18(17(2)26-24(31)27-19-8-4-3-5-9-19)14-20(16)28-23(30)21-15-25-22-10-6-7-13-29(21)22/h3-15,17H,1-2H3,(H,28,30)(H2,26,27,31)/t17-/m0/s1.
What are the key properties of N-[2-methyl-5-[(1S)-1-(phenylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[2-methyl-5-[(1S)-1-(phenylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[(1S)-1-(phenylcarbamoylamino)ethyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 86763924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).