N-[2-butyl-7-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide

C23H29N5O3 — CID 3204071

IUPACN-[2-butyl-7-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide
SMILESCCCCc1nc2c(C)c(NC(=O)C(C)(C)C)cnc2n1Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H29N5O3/c1-6-7-11-19-26-20-15(2)18(25-22(29)23(3,4)5)13-24-21(20)27(19)14-16-9-8-10-17(12-16)28(30)31/h8-10,12-13H,6-7,11,14H2,1-5H3,(H,25,29)
InChIKeyJKJKZYJGFUYXPI-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.02
Rot. Bonds7

About N-[2-butyl-7-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide

N-[2-butyl-7-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide (PubChem CID 3204071) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[2-butyl-7-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-butyl-7-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide
PubChem CID3204071
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC NameN-[2-butyl-7-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide
SMILESCCCCc1nc2c(C)c(NC(=O)C(C)(C)C)cnc2n1Cc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C23H29N5O3/c1-6-7-11-19-26-20-15(2)18(25-22(29)23(3,4)5)13-24-21(20)27(19)14-16-9-8-10-17(12-16)28(30)31/h8-10,12-13H,6-7,11,14H2,1-5H3,(H,25,29)
InChIKeyJKJKZYJGFUYXPI-UHFFFAOYSA-N
XLogP5.02
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.02
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-[2-butyl-7-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-butyl-7-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide (CID 3204071) is N-[2-butyl-7-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-butyl-7-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-butyl-7-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide is CCCCc1nc2c(C)c(NC(=O)C(C)(C)C)cnc2n1Cc1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-[2-butyl-7-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide?
The InChIKey is JKJKZYJGFUYXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-6-7-11-19-26-20-15(2)18(25-22(29)23(3,4)5)13-24-21(20)27(19)14-16-9-8-10-17(12-16)28(30)31/h8-10,12-13H,6-7,11,14H2,1-5H3,(H,25,29).
What are the key properties of N-[2-butyl-7-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide?
N-[2-butyl-7-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide has a molecular weight of 423.52 g/mol, XLogP of 5.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-butyl-7-methyl-3-[(3-nitrophenyl)methyl]imidazo[4,5-b]pyridin-6-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 3204071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).