N-[2-(1,3-benzoxazol-2-ylamino)propyl]imidazo[1,2-a]pyridine-3-carboxamide

C18H17N5O2 — CID 167865572

IUPACN-[2-(1,3-benzoxazol-2-ylamino)propyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(CNC(=O)c1cnc2ccccn12)Nc1nc2ccccc2o1
InChIInChI=1S/C18H17N5O2/c1-12(21-18-22-13-6-2-3-7-15(13)25-18)10-20-17(24)14-11-19-16-8-4-5-9-23(14)16/h2-9,11-12H,10H2,1H3,(H,20,24)(H,21,22)
InChIKeyYTMGSBUGBATWSM-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.71
Rot. Bonds5

About N-[2-(1,3-benzoxazol-2-ylamino)propyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[2-(1,3-benzoxazol-2-ylamino)propyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 167865572) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-2-ylamino)propyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-2-ylamino)propyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID167865572
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[2-(1,3-benzoxazol-2-ylamino)propyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCC(CNC(=O)c1cnc2ccccn12)Nc1nc2ccccc2o1
InChIInChI=1S/C18H17N5O2/c1-12(21-18-22-13-6-2-3-7-15(13)25-18)10-20-17(24)14-11-19-16-8-4-5-9-23(14)16/h2-9,11-12H,10H2,1H3,(H,20,24)(H,21,22)
InChIKeyYTMGSBUGBATWSM-UHFFFAOYSA-N
XLogP2.71
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-2-ylamino)propyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-(1,3-benzoxazol-2-ylamino)propyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 167865572) is N-[2-(1,3-benzoxazol-2-ylamino)propyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-2-ylamino)propyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-2-ylamino)propyl]imidazo[1,2-a]pyridine-3-carboxamide is CC(CNC(=O)c1cnc2ccccn12)Nc1nc2ccccc2o1.
What is the InChIKey of N-[2-(1,3-benzoxazol-2-ylamino)propyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is YTMGSBUGBATWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12(21-18-22-13-6-2-3-7-15(13)25-18)10-20-17(24)14-11-19-16-8-4-5-9-23(14)16/h2-9,11-12H,10H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[2-(1,3-benzoxazol-2-ylamino)propyl]imidazo[1,2-a]pyridine-3-carboxamide?
N-[2-(1,3-benzoxazol-2-ylamino)propyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-2-ylamino)propyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 167865572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).