N-benzyl-1-[2-[[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide

C22H25N5O3 — CID 92635934

About N-benzyl-1-[2-[[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide

N-benzyl-1-[2-[[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide (PubChem CID 92635934) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-benzyl-1-[2-[[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-benzyl-1-[2-[[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
• PubChem CID: 92635934
• Molecular Formula: C22H25N5O3
• Molecular Weight: 407.47 g/mol
• Exact Mass: 407.20
• IUPAC Name: N-benzyl-1-[2-[[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
• SMILES: Cc1c([C@@H](C)NC(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)cnn1C
• InChI: InChI=1S/C22H25N5O3/c1-15(19-12-24-26(3)16(19)2)25-20(28)14-27-13-18(9-10-21(27)29)22(30)23-11-17-7-5-4-6-8-17/h4-10,12-13,15H,11,14H2,1-3H3,(H,23,30)(H,25,28)/t15-/m1/s1
• InChIKey: ZOUARBZHASXDIJ-OAHLLOKOSA-N
• XLogP: 1.70
• TPSA: 98.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.47
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-[[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?

The IUPAC name of N-benzyl-1-[2-[[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide (CID 92635934) is N-benzyl-1-[2-[[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide.

What is the SMILES notation for N-benzyl-1-[2-[[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?

The canonical SMILES for N-benzyl-1-[2-[[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide is Cc1c([C@@H](C)NC(=O)Cn2cc(C(=O)NCc3ccccc3)ccc2=O)cnn1C.

What is the InChIKey of N-benzyl-1-[2-[[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?

The InChIKey is ZOUARBZHASXDIJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-15(19-12-24-26(3)16(19)2)25-20(28)14-27-13-18(9-10-21(27)29)22(30)23-11-17-7-5-4-6-8-17/h4-10,12-13,15H,11,14H2,1-3H3,(H,23,30)(H,25,28)/t15-/m1/s1.

What are the key properties of N-benzyl-1-[2-[[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide?

N-benzyl-1-[2-[[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-1-[2-[[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 92635934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).