N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide

C27H29N5O3 — CID 46948517

IUPACN-[2-(dimethylamino)ethyl]-3-[8-formamido-6-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCc1cc(-c2cc(NC=O)c3ncc(-c4cccc(C(=O)NCCN(C)C)c4)n3c2)cc(C)c1O
InChIInChI=1S/C27H29N5O3/c1-17-10-21(11-18(2)25(17)34)22-13-23(30-16-33)26-29-14-24(32(26)15-22)19-6-5-7-20(12-19)27(35)28-8-9-31(3)4/h5-7,10-16,34H,8-9H2,1-4H3,(H,28,35)(H,30,33)
InChIKeyALLZXGMFUFWSIW-UHFFFAOYSA-N
MW471.56 g/mol
LogP3.85
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide

N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 46948517) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-[8-formamido-6-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID46948517
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC NameN-[2-(dimethylamino)ethyl]-3-[8-formamido-6-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCc1cc(-c2cc(NC=O)c3ncc(-c4cccc(C(=O)NCCN(C)C)c4)n3c2)cc(C)c1O
InChIInChI=1S/C27H29N5O3/c1-17-10-21(11-18(2)25(17)34)22-13-23(30-16-33)26-29-14-24(32(26)15-22)19-6-5-7-20(12-19)27(35)28-8-9-31(3)4/h5-7,10-16,34H,8-9H2,1-4H3,(H,28,35)(H,30,33)
InChIKeyALLZXGMFUFWSIW-UHFFFAOYSA-N
XLogP3.85
TPSA98.97 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 46948517) is N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide is Cc1cc(-c2cc(NC=O)c3ncc(-c4cccc(C(=O)NCCN(C)C)c4)n3c2)cc(C)c1O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is ALLZXGMFUFWSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-17-10-21(11-18(2)25(17)34)22-13-23(30-16-33)26-29-14-24(32(26)15-22)19-6-5-7-20(12-19)27(35)28-8-9-31(3)4/h5-7,10-16,34H,8-9H2,1-4H3,(H,28,35)(H,30,33).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide?
N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 471.56 g/mol, XLogP of 3.85, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-(4-hydroxy-3,5-dimethylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 46948517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).