1-benzyl-5-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide

C26H27N5O3 — CID 42479784

IUPAC1-benzyl-5-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCc1ccn2cc(CNC(=O)c3cn(Cc4ccccc4)cc(C(=O)NC(C)C)c3=O)nc2c1
InChIInChI=1S/C26H27N5O3/c1-17(2)28-26(34)22-16-30(13-19-7-5-4-6-8-19)15-21(24(22)32)25(33)27-12-20-14-31-10-9-18(3)11-23(31)29-20/h4-11,14-17H,12-13H2,1-3H3,(H,27,33)(H,28,34)
InChIKeyUVCMSDUJVTWENZ-UHFFFAOYSA-N
MW457.53 g/mol
LogP2.92
Rot. Bonds7

About 1-benzyl-5-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide

1-benzyl-5-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide (PubChem CID 42479784) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 1-benzyl-5-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-benzyl-5-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
PubChem CID42479784
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name1-benzyl-5-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide
SMILESCc1ccn2cc(CNC(=O)c3cn(Cc4ccccc4)cc(C(=O)NC(C)C)c3=O)nc2c1
InChIInChI=1S/C26H27N5O3/c1-17(2)28-26(34)22-16-30(13-19-7-5-4-6-8-19)15-21(24(22)32)25(33)27-12-20-14-31-10-9-18(3)11-23(31)29-20/h4-11,14-17H,12-13H2,1-3H3,(H,27,33)(H,28,34)
InChIKeyUVCMSDUJVTWENZ-UHFFFAOYSA-N
XLogP2.92
TPSA97.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 1-benzyl-5-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide (CID 42479784) is 1-benzyl-5-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 1-benzyl-5-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 1-benzyl-5-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide is Cc1ccn2cc(CNC(=O)c3cn(Cc4ccccc4)cc(C(=O)NC(C)C)c3=O)nc2c1.
What is the InChIKey of 1-benzyl-5-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide?
The InChIKey is UVCMSDUJVTWENZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-17(2)28-26(34)22-16-30(13-19-7-5-4-6-8-19)15-21(24(22)32)25(33)27-12-20-14-31-10-9-18(3)11-23(31)29-20/h4-11,14-17H,12-13H2,1-3H3,(H,27,33)(H,28,34).
What are the key properties of 1-benzyl-5-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide?
1-benzyl-5-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide has a molecular weight of 457.53 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-oxo-3-N-propan-2-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 42479784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).