N-pentan-3-yl-6-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

C18H28N4O2 — CID 155872309

IUPACN-pentan-3-yl-6-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCCC(CC)NC(=O)c1ncn2c1CCC(C(=O)N1CCCC1)C2
InChIInChI=1S/C18H28N4O2/c1-3-14(4-2)20-17(23)16-15-8-7-13(11-22(15)12-19-16)18(24)21-9-5-6-10-21/h12-14H,3-11H2,1-2H3,(H,20,23)
InChIKeyMDYDZUQVDVAXIK-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.99
Rot. Bonds5

About N-pentan-3-yl-6-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide

N-pentan-3-yl-6-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 155872309) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-pentan-3-yl-6-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound NameN-pentan-3-yl-6-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
PubChem CID155872309
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-pentan-3-yl-6-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
SMILESCCC(CC)NC(=O)c1ncn2c1CCC(C(=O)N1CCCC1)C2
InChIInChI=1S/C18H28N4O2/c1-3-14(4-2)20-17(23)16-15-8-7-13(11-22(15)12-19-16)18(24)21-9-5-6-10-21/h12-14H,3-11H2,1-2H3,(H,20,23)
InChIKeyMDYDZUQVDVAXIK-UHFFFAOYSA-N
XLogP1.99
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-6-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of N-pentan-3-yl-6-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide (CID 155872309) is N-pentan-3-yl-6-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for N-pentan-3-yl-6-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for N-pentan-3-yl-6-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is CCC(CC)NC(=O)c1ncn2c1CCC(C(=O)N1CCCC1)C2.
What is the InChIKey of N-pentan-3-yl-6-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is MDYDZUQVDVAXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-3-14(4-2)20-17(23)16-15-8-7-13(11-22(15)12-19-16)18(24)21-9-5-6-10-21/h12-14H,3-11H2,1-2H3,(H,20,23).
What are the key properties of N-pentan-3-yl-6-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide?
N-pentan-3-yl-6-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-6-(pyrrolidine-1-carbonyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 155872309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).