(6R)-5-[6-(dimethylamino)pyridine-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C15H17N5O3 — CID 97434426

IUPAC(6R)-5-[6-(dimethylamino)pyridine-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCN(C)c1ccc(C(=O)N2Cc3[nH]cnc3C[C@@H]2C(=O)O)cn1
InChIInChI=1S/C15H17N5O3/c1-19(2)13-4-3-9(6-16-13)14(21)20-7-11-10(17-8-18-11)5-12(20)15(22)23/h3-4,6,8,12H,5,7H2,1-2H3,(H,17,18)(H,22,23)/t12-/m1/s1
InChIKeyDXHQQUKYYBPFIA-GFCCVEGCSA-N
MW315.33 g/mol
LogP0.52
Rot. Bonds3

About (6R)-5-[6-(dimethylamino)pyridine-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

(6R)-5-[6-(dimethylamino)pyridine-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 97434426) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is (6R)-5-[6-(dimethylamino)pyridine-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name(6R)-5-[6-(dimethylamino)pyridine-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID97434426
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name(6R)-5-[6-(dimethylamino)pyridine-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCN(C)c1ccc(C(=O)N2Cc3[nH]cnc3C[C@@H]2C(=O)O)cn1
InChIInChI=1S/C15H17N5O3/c1-19(2)13-4-3-9(6-16-13)14(21)20-7-11-10(17-8-18-11)5-12(20)15(22)23/h3-4,6,8,12H,5,7H2,1-2H3,(H,17,18)(H,22,23)/t12-/m1/s1
InChIKeyDXHQQUKYYBPFIA-GFCCVEGCSA-N
XLogP0.52
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-5-[6-(dimethylamino)pyridine-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of (6R)-5-[6-(dimethylamino)pyridine-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 97434426) is (6R)-5-[6-(dimethylamino)pyridine-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for (6R)-5-[6-(dimethylamino)pyridine-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for (6R)-5-[6-(dimethylamino)pyridine-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is CN(C)c1ccc(C(=O)N2Cc3[nH]cnc3C[C@@H]2C(=O)O)cn1.
What is the InChIKey of (6R)-5-[6-(dimethylamino)pyridine-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is DXHQQUKYYBPFIA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N5O3/c1-19(2)13-4-3-9(6-16-13)14(21)20-7-11-10(17-8-18-11)5-12(20)15(22)23/h3-4,6,8,12H,5,7H2,1-2H3,(H,17,18)(H,22,23)/t12-/m1/s1.
What are the key properties of (6R)-5-[6-(dimethylamino)pyridine-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
(6R)-5-[6-(dimethylamino)pyridine-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 315.33 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-[6-(dimethylamino)pyridine-3-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 97434426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).