N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-3-carboxamide

C21H19N7O2 — CID 118380874

About N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-3-carboxamide

N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-3-carboxamide (PubChem CID 118380874) has the molecular formula C21H19N7O2 and a molecular weight of 401.43 g/mol. Its IUPAC name is N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-3-carboxamide
• PubChem CID: 118380874
• Molecular Formula: C21H19N7O2
• Molecular Weight: 401.43 g/mol
• Exact Mass: 401.16
• IUPAC Name: N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-3-carboxamide
• SMILES: C[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)c3cccnc3)c2cn1)c1ccccc1
• InChI: InChI=1S/C21H19N7O2/c1-13(14-6-3-2-4-7-14)24-21(30)25-18-10-17-16(12-23-18)19(28-27-17)26-20(29)15-8-5-9-22-11-15/h2-13H,1H3,(H2,23,24,25,30)(H2,26,27,28,29)/t13-/m1/s1
• InChIKey: FVRNBLWPVCDPOI-CYBMUJFWSA-N
• XLogP: 3.49
• TPSA: 124.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.43
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-3-carboxamide?

The IUPAC name of N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-3-carboxamide (CID 118380874) is N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-3-carboxamide?

The canonical SMILES for N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-3-carboxamide is C[C@@H](NC(=O)Nc1cc2[nH]nc(NC(=O)c3cccnc3)c2cn1)c1ccccc1.

What is the InChIKey of N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-3-carboxamide?

The InChIKey is FVRNBLWPVCDPOI-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H19N7O2/c1-13(14-6-3-2-4-7-14)24-21(30)25-18-10-17-16(12-23-18)19(28-27-17)26-20(29)15-8-5-9-22-11-15/h2-13H,1H3,(H2,23,24,25,30)(H2,26,27,28,29)/t13-/m1/s1.

What are the key properties of N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-3-carboxamide?

N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-3-carboxamide has a molecular weight of 401.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[[(1R)-1-phenylethyl]carbamoylamino]-1H-pyrazolo[4,3-c]pyridin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 118380874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).