N-[3-[(1S)-1-[(5-amino-4-ethenyl-3-pyridinyl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;molecular hydrogen

C22H29N5O — CID 155750048

About N-[3-[(1S)-1-[(5-amino-4-ethenyl-3-pyridinyl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;molecular hydrogen

N-[3-[(1S)-1-[(5-amino-4-ethenyl-3-pyridinyl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;molecular hydrogen (PubChem CID 155750048) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[3-[(1S)-1-[(5-amino-4-ethenyl-3-pyridinyl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[3-[(1S)-1-[(5-amino-4-ethenyl-3-pyridinyl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;molecular hydrogen
• PubChem CID: 155750048
• Molecular Formula: C22H29N5O
• Molecular Weight: 379.51 g/mol
• Exact Mass: 379.24
• IUPAC Name: N-[3-[(1S)-1-[(5-amino-4-ethenyl-3-pyridinyl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;molecular hydrogen
• SMILES: C=Cc1c(N)cncc1N[C@@H](C)c1cccc(NC(=O)c2cncc(C)c2)c1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C22H23N5O.3H2/c1-4-19-20(23)12-25-13-21(19)26-15(3)16-6-5-7-18(9-16)27-22(28)17-8-14(2)10-24-11-17;;;/h4-13,15,26H,1,23H2,2-3H3,(H,27,28);3*1H/t15-;;;/m0.../s1
• InChIKey: HJLHUQCJXNUJKD-CFZZCFLMSA-N
• XLogP: 5.17
• TPSA: 92.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	379.51
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-1-[(5-amino-4-ethenyl-3-pyridinyl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;molecular hydrogen?

The IUPAC name of N-[3-[(1S)-1-[(5-amino-4-ethenyl-3-pyridinyl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;molecular hydrogen (CID 155750048) is N-[3-[(1S)-1-[(5-amino-4-ethenyl-3-pyridinyl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;molecular hydrogen.

What is the SMILES notation for N-[3-[(1S)-1-[(5-amino-4-ethenyl-3-pyridinyl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;molecular hydrogen?

The canonical SMILES for N-[3-[(1S)-1-[(5-amino-4-ethenyl-3-pyridinyl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;molecular hydrogen is C=Cc1c(N)cncc1N[C@@H](C)c1cccc(NC(=O)c2cncc(C)c2)c1.[H][H].[H][H].[H][H].

What is the InChIKey of N-[3-[(1S)-1-[(5-amino-4-ethenyl-3-pyridinyl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;molecular hydrogen?

The InChIKey is HJLHUQCJXNUJKD-CFZZCFLMSA-N. The full InChI is InChI=1S/C22H23N5O.3H2/c1-4-19-20(23)12-25-13-21(19)26-15(3)16-6-5-7-18(9-16)27-22(28)17-8-14(2)10-24-11-17;;;/h4-13,15,26H,1,23H2,2-3H3,(H,27,28);3*1H/t15-;;;/m0.../s1.

What are the key properties of N-[3-[(1S)-1-[(5-amino-4-ethenyl-3-pyridinyl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;molecular hydrogen?

N-[3-[(1S)-1-[(5-amino-4-ethenyl-3-pyridinyl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;molecular hydrogen has a molecular weight of 379.51 g/mol, XLogP of 5.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(1S)-1-[(5-amino-4-ethenyl-3-pyridinyl)amino]ethyl]phenyl]-5-methylpyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 155750048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).