3-(2-nitroanilino)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide

C22H19N5O3 — CID 55513544

IUPAC3-(2-nitroanilino)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESO=C(CCNc1ccccc1[N+](=O)[O-])Nc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C22H19N5O3/c28-20(13-14-23-17-10-4-5-11-18(17)27(29)30)25-22-21(16-8-2-1-3-9-16)24-19-12-6-7-15-26(19)22/h1-12,15,23H,13-14H2,(H,25,28)
InChIKeyBNGZPSABQDBBJS-UHFFFAOYSA-N
MW401.43 g/mol
LogP4.35
Rot. Bonds7

About 3-(2-nitroanilino)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide

3-(2-nitroanilino)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide (PubChem CID 55513544) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 3-(2-nitroanilino)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide.

Molecular Properties

Compound Name3-(2-nitroanilino)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide
PubChem CID55513544
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name3-(2-nitroanilino)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESO=C(CCNc1ccccc1[N+](=O)[O-])Nc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C22H19N5O3/c28-20(13-14-23-17-10-4-5-11-18(17)27(29)30)25-22-21(16-8-2-1-3-9-16)24-19-12-6-7-15-26(19)22/h1-12,15,23H,13-14H2,(H,25,28)
InChIKeyBNGZPSABQDBBJS-UHFFFAOYSA-N
XLogP4.35
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-phenylimidazo[1,2-a]pyridin-3-yl)pentanamide
CID 3828486
2-(3-nitropyrazol-1-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 87023971
3-(2-nitroanilino)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 47044436
N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pentanamide
CID 42694061
4-[(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)amino]-4-oxobutanoic acid
CID 23735799
N-(2-chlorophenyl)-3-[(2-phenylimidazo[1,2-a]pyrazin-3-yl)amino]propanamide
CID 53039715
2-[(4-methylphenyl)methylsulfanyl]-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetamide
CID 134050030
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)butanamide
CID 55387623
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(2-nitroanilino)propanamide
CID 55550892
3-(2-nitroanilino)-N-[3-(1H-pyrazol-5-yl)phenyl]propanamide
CID 46412486
2-methylidene-4-(2-nitroanilino)butanoic acid
CID 23139707
2-methoxy-N-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CID 42694050

Frequently Asked Questions

What is the IUPAC name of 3-(2-nitroanilino)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide?
The IUPAC name of 3-(2-nitroanilino)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide (CID 55513544) is 3-(2-nitroanilino)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide.
What is the SMILES notation for 3-(2-nitroanilino)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide?
The canonical SMILES for 3-(2-nitroanilino)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide is O=C(CCNc1ccccc1[N+](=O)[O-])Nc1c(-c2ccccc2)nc2ccccn12.
What is the InChIKey of 3-(2-nitroanilino)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide?
The InChIKey is BNGZPSABQDBBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c28-20(13-14-23-17-10-4-5-11-18(17)27(29)30)25-22-21(16-8-2-1-3-9-16)24-19-12-6-7-15-26(19)22/h1-12,15,23H,13-14H2,(H,25,28).
What are the key properties of 3-(2-nitroanilino)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide?
3-(2-nitroanilino)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide has a molecular weight of 401.43 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-nitroanilino)-N-(2-phenylimidazo[1,2-a]pyridin-3-yl)propanamide is sourced from PubChem (CID 55513544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).