N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-7-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-2-carboxamide

C18H25N3O4 — CID 155996463

IUPACN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-7-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccn2cc(C(=O)N(CC(C)C)[C@@H]3COC[C@@H](O)[C@H]3O)nc2c1
InChIInChI=1S/C18H25N3O4/c1-11(2)7-21(14-9-25-10-15(22)17(14)23)18(24)13-8-20-5-4-12(3)6-16(20)19-13/h4-6,8,11,14-15,17,22-23H,7,9-10H2,1-3H3/t14-,15-,17+/m1/s1
InChIKeyYLGQNYISDHKGRS-INMHGKMJSA-N
MW347.42 g/mol
LogP0.86
Rot. Bonds4

About N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-7-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-2-carboxamide

N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-7-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 155996463) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-7-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-7-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID155996463
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-7-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1ccn2cc(C(=O)N(CC(C)C)[C@@H]3COC[C@@H](O)[C@H]3O)nc2c1
InChIInChI=1S/C18H25N3O4/c1-11(2)7-21(14-9-25-10-15(22)17(14)23)18(24)13-8-20-5-4-12(3)6-16(20)19-13/h4-6,8,11,14-15,17,22-23H,7,9-10H2,1-3H3/t14-,15-,17+/m1/s1
InChIKeyYLGQNYISDHKGRS-INMHGKMJSA-N
XLogP0.86
TPSA87.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-7-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-7-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-2-carboxamide (CID 155996463) is N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-7-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-7-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-7-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-2-carboxamide is Cc1ccn2cc(C(=O)N(CC(C)C)[C@@H]3COC[C@@H](O)[C@H]3O)nc2c1.
What is the InChIKey of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-7-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is YLGQNYISDHKGRS-INMHGKMJSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-11(2)7-21(14-9-25-10-15(22)17(14)23)18(24)13-8-20-5-4-12(3)6-16(20)19-13/h4-6,8,11,14-15,17,22-23H,7,9-10H2,1-3H3/t14-,15-,17+/m1/s1.
What are the key properties of N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-7-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-2-carboxamide?
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-7-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-7-methyl-N-(2-methylpropyl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 155996463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).