N-[6-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine

C23H30N6 — CID 95813646

About N-[6-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine

N-[6-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine (PubChem CID 95813646) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is N-[6-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine.

Molecular Properties

• Compound Name: N-[6-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine
• PubChem CID: 95813646
• Molecular Formula: C23H30N6
• Molecular Weight: 390.54 g/mol
• Exact Mass: 390.25
• IUPAC Name: N-[6-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine
• SMILES: CCn1cc(CN2CCC[C@H](c3ccc(Nc4ncccc4C)cn3)C2)c(C)n1
• InChI: InChI=1S/C23H30N6/c1-4-29-16-20(18(3)27-29)15-28-12-6-8-19(14-28)22-10-9-21(13-25-22)26-23-17(2)7-5-11-24-23/h5,7,9-11,13,16,19H,4,6,8,12,14-15H2,1-3H3,(H,24,26)/t19-/m0/s1
• InChIKey: YAQXWWISDPGPTA-IBGZPJMESA-N
• XLogP: 4.43
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.54
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine?

The IUPAC name of N-[6-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine (CID 95813646) is N-[6-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine.

What is the SMILES notation for N-[6-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine?

The canonical SMILES for N-[6-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine is CCn1cc(CN2CCC[C@H](c3ccc(Nc4ncccc4C)cn3)C2)c(C)n1.

What is the InChIKey of N-[6-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine?

The InChIKey is YAQXWWISDPGPTA-IBGZPJMESA-N. The full InChI is InChI=1S/C23H30N6/c1-4-29-16-20(18(3)27-29)15-28-12-6-8-19(14-28)22-10-9-21(13-25-22)26-23-17(2)7-5-11-24-23/h5,7,9-11,13,16,19H,4,6,8,12,14-15H2,1-3H3,(H,24,26)/t19-/m0/s1.

What are the key properties of N-[6-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine?

N-[6-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine has a molecular weight of 390.54 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 95813646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).