N-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]-4-methylpentanamide

C21H25N5O2 — CID 72699350

IUPACN-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(NC(=O)NCc2ccn3ccnc3c2)cc1
InChIInChI=1S/C21H25N5O2/c1-15(2)3-8-20(27)24-17-4-6-18(7-5-17)25-21(28)23-14-16-9-11-26-12-10-22-19(26)13-16/h4-7,9-13,15H,3,8,14H2,1-2H3,(H,24,27)(H2,23,25,28)
InChIKeyUVJCMJULVBRBMU-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.03
Rot. Bonds7

About N-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]-4-methylpentanamide

N-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]-4-methylpentanamide (PubChem CID 72699350) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]-4-methylpentanamide
PubChem CID72699350
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(NC(=O)NCc2ccn3ccnc3c2)cc1
InChIInChI=1S/C21H25N5O2/c1-15(2)3-8-20(27)24-17-4-6-18(7-5-17)25-21(28)23-14-16-9-11-26-12-10-22-19(26)13-16/h4-7,9-13,15H,3,8,14H2,1-2H3,(H,24,27)(H2,23,25,28)
InChIKeyUVJCMJULVBRBMU-UHFFFAOYSA-N
XLogP4.03
TPSA87.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]-4-methylpentanamide?
The IUPAC name of N-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]-4-methylpentanamide (CID 72699350) is N-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]-4-methylpentanamide.
What is the SMILES notation for N-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]-4-methylpentanamide?
The canonical SMILES for N-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]-4-methylpentanamide is CC(C)CCC(=O)Nc1ccc(NC(=O)NCc2ccn3ccnc3c2)cc1.
What is the InChIKey of N-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]-4-methylpentanamide?
The InChIKey is UVJCMJULVBRBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15(2)3-8-20(27)24-17-4-6-18(7-5-17)25-21(28)23-14-16-9-11-26-12-10-22-19(26)13-16/h4-7,9-13,15H,3,8,14H2,1-2H3,(H,24,27)(H2,23,25,28).
What are the key properties of N-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]-4-methylpentanamide?
N-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]-4-methylpentanamide has a molecular weight of 379.46 g/mol, XLogP of 4.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(imidazo[1,2-a]pyridin-7-ylmethylcarbamoylamino)phenyl]-4-methylpentanamide is sourced from PubChem (CID 72699350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).