N-[(5-piperidin-4-ylsulfonyl-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide

C19H21N5O3S — CID 71728280

IUPACN-[(5-piperidin-4-ylsulfonyl-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)C2CCNCC2)cn1)c1ccc2nccn2c1
InChIInChI=1S/C19H21N5O3S/c25-19(14-1-4-18-21-9-10-24(18)13-14)23-11-15-2-3-17(12-22-15)28(26,27)16-5-7-20-8-6-16/h1-4,9-10,12-13,16,20H,5-8,11H2,(H,23,25)
InChIKeyHOHROUXZDJOALX-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.18
Rot. Bonds5

About N-[(5-piperidin-4-ylsulfonyl-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[(5-piperidin-4-ylsulfonyl-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 71728280) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-[(5-piperidin-4-ylsulfonyl-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[(5-piperidin-4-ylsulfonyl-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID71728280
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC NameN-[(5-piperidin-4-ylsulfonyl-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)C2CCNCC2)cn1)c1ccc2nccn2c1
InChIInChI=1S/C19H21N5O3S/c25-19(14-1-4-18-21-9-10-24(18)13-14)23-11-15-2-3-17(12-22-15)28(26,27)16-5-7-20-8-6-16/h1-4,9-10,12-13,16,20H,5-8,11H2,(H,23,25)
InChIKeyHOHROUXZDJOALX-UHFFFAOYSA-N
XLogP1.18
TPSA105.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-piperidin-4-ylsulfonyl-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[(5-piperidin-4-ylsulfonyl-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 71728280) is N-[(5-piperidin-4-ylsulfonyl-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[(5-piperidin-4-ylsulfonyl-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[(5-piperidin-4-ylsulfonyl-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide is O=C(NCc1ccc(S(=O)(=O)C2CCNCC2)cn1)c1ccc2nccn2c1.
What is the InChIKey of N-[(5-piperidin-4-ylsulfonyl-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is HOHROUXZDJOALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c25-19(14-1-4-18-21-9-10-24(18)13-14)23-11-15-2-3-17(12-22-15)28(26,27)16-5-7-20-8-6-16/h1-4,9-10,12-13,16,20H,5-8,11H2,(H,23,25).
What are the key properties of N-[(5-piperidin-4-ylsulfonyl-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[(5-piperidin-4-ylsulfonyl-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-piperidin-4-ylsulfonyl-2-pyridinyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 71728280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).