4-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-nitro-N-propan-2-ylbenzamide

C18H19N5O3 — CID 17407046

IUPAC4-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-nitro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NCc2cn3ccccc3n2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H19N5O3/c1-12(2)20-18(24)13-6-7-15(16(9-13)23(25)26)19-10-14-11-22-8-4-3-5-17(22)21-14/h3-9,11-12,19H,10H2,1-2H3,(H,20,24)
InChIKeyAWLKZLBFSHUTLP-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.99
Rot. Bonds6

About 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-nitro-N-propan-2-ylbenzamide

4-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-nitro-N-propan-2-ylbenzamide (PubChem CID 17407046) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-nitro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-nitro-N-propan-2-ylbenzamide
PubChem CID17407046
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name4-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-nitro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NCc2cn3ccccc3n2)c([N+](=O)[O-])c1
InChIInChI=1S/C18H19N5O3/c1-12(2)20-18(24)13-6-7-15(16(9-13)23(25)26)19-10-14-11-22-8-4-3-5-17(22)21-14/h3-9,11-12,19H,10H2,1-2H3,(H,20,24)
InChIKeyAWLKZLBFSHUTLP-UHFFFAOYSA-N
XLogP2.99
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.99
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

4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-nitroaniline
CID 60631945
4-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-nitrobenzamide
CID 31257184
4-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-3-nitro-N-propan-2-ylbenzamide
CID 133406230
2-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-nitroaniline
CID 36783664
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methyl-3-nitroaniline
CID 60671510
3-nitro-N-propan-2-yl-4-[2-(quinolin-2-ylamino)ethylamino]benzamide
CID 133309800
4-acetamido-3-nitro-N-propan-2-ylbenzamide
CID 596994
4-(benzylamino)-N-(1-hydroxypropan-2-yl)-3-nitrobenzamide
CID 110887436
4-[(1-hydroxycyclobutyl)methylamino]-3-nitro-N-propan-2-ylbenzamide
CID 133329803
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-[(propan-2-ylcarbamoylamino)methyl]benzamide
CID 9185148
4-(1,3-benzodioxol-5-ylmethylamino)-3-nitro-N-propan-2-ylbenzamide
CID 46681407
[2-oxo-2-(propan-2-ylamino)ethyl] 4-(benzylamino)-3-nitrobenzoate
CID 7405736

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-nitro-N-propan-2-ylbenzamide?
The IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-nitro-N-propan-2-ylbenzamide (CID 17407046) is 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-nitro-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-nitro-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-nitro-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(NCc2cn3ccccc3n2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-nitro-N-propan-2-ylbenzamide?
The InChIKey is AWLKZLBFSHUTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-12(2)20-18(24)13-6-7-15(16(9-13)23(25)26)19-10-14-11-22-8-4-3-5-17(22)21-14/h3-9,11-12,19H,10H2,1-2H3,(H,20,24).
What are the key properties of 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-nitro-N-propan-2-ylbenzamide?
4-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-nitro-N-propan-2-ylbenzamide has a molecular weight of 353.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[1,2-a]pyridin-2-ylmethylamino)-3-nitro-N-propan-2-ylbenzamide is sourced from PubChem (CID 17407046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).