2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)pentanediamide

C12H18N6O3 — CID 166632536

IUPAC2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)pentanediamide
SMILESNC(=O)CCC(NC(=O)C1Cc2nc[nH]c2CN1)C(N)=O
InChIInChI=1S/C12H18N6O3/c13-10(19)2-1-6(11(14)20)18-12(21)8-3-7-9(4-15-8)17-5-16-7/h5-6,8,15H,1-4H2,(H2,13,19)(H2,14,20)(H,16,17)(H,18,21)
InChIKeyVQKWIDXPIOWXGD-UHFFFAOYSA-N
MW294.31 g/mol
LogP-2.34
Rot. Bonds6

About 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)pentanediamide

2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)pentanediamide (PubChem CID 166632536) has the molecular formula C12H18N6O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)pentanediamide.

Molecular Properties

Compound Name2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)pentanediamide
PubChem CID166632536
Molecular FormulaC12H18N6O3
Molecular Weight294.31 g/mol
Exact Mass294.14
IUPAC Name2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)pentanediamide
SMILESNC(=O)CCC(NC(=O)C1Cc2nc[nH]c2CN1)C(N)=O
InChIInChI=1S/C12H18N6O3/c13-10(19)2-1-6(11(14)20)18-12(21)8-3-7-9(4-15-8)17-5-16-7/h5-6,8,15H,1-4H2,(H2,13,19)(H2,14,20)(H,16,17)(H,18,21)
InChIKeyVQKWIDXPIOWXGD-UHFFFAOYSA-N
XLogP-2.34
TPSA155.99 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-2.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)pentanediamide?
The IUPAC name of 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)pentanediamide (CID 166632536) is 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)pentanediamide.
What is the SMILES notation for 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)pentanediamide?
The canonical SMILES for 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)pentanediamide is NC(=O)CCC(NC(=O)C1Cc2nc[nH]c2CN1)C(N)=O.
What is the InChIKey of 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)pentanediamide?
The InChIKey is VQKWIDXPIOWXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O3/c13-10(19)2-1-6(11(14)20)18-12(21)8-3-7-9(4-15-8)17-5-16-7/h5-6,8,15H,1-4H2,(H2,13,19)(H2,14,20)(H,16,17)(H,18,21).
What are the key properties of 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)pentanediamide?
2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)pentanediamide has a molecular weight of 294.31 g/mol, XLogP of -2.34, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carbonylamino)pentanediamide is sourced from PubChem (CID 166632536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).