N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

C30H29F3N6O2 — CID 135326839

About N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 135326839) has the molecular formula C30H29F3N6O2 and a molecular weight of 562.60 g/mol. Its IUPAC name is N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
• PubChem CID: 135326839
• Molecular Formula: C30H29F3N6O2
• Molecular Weight: 562.60 g/mol
• Exact Mass: 562.23
• IUPAC Name: N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
• SMILES: Cc1ccc2c(NC(=O)C3(C(F)(F)F)CC3)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1
• InChI: InChI=1S/C30H29F3N6O2/c1-18-9-10-20-21(6-2-8-23(20)38-27(40)29(12-13-29)30(31,32)33)25(18)41-26-22(7-4-15-35-26)24-11-16-36-28(39-24)37-19-5-3-14-34-17-19/h2,4,6-11,15-16,19,34H,3,5,12-14,17H2,1H3,(H,38,40)(H,36,37,39)/t19-/m0/s1
• InChIKey: KDFVILDJCSYYAF-IBGZPJMESA-N
• XLogP: 6.24
• TPSA: 101.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	562.60
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?

The IUPAC name of N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 135326839) is N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.

What is the SMILES notation for N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?

The canonical SMILES for N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is Cc1ccc2c(NC(=O)C3(C(F)(F)F)CC3)cccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CCCNC2)n1.

What is the InChIKey of N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?

The InChIKey is KDFVILDJCSYYAF-IBGZPJMESA-N. The full InChI is InChI=1S/C30H29F3N6O2/c1-18-9-10-20-21(6-2-8-23(20)38-27(40)29(12-13-29)30(31,32)33)25(18)41-26-22(7-4-15-35-26)24-11-16-36-28(39-24)37-19-5-3-14-34-17-19/h2,4,6-11,15-16,19,34H,3,5,12-14,17H2,1H3,(H,38,40)(H,36,37,39)/t19-/m0/s1.

What are the key properties of N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?

N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 562.60 g/mol, XLogP of 6.24, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-methyl-5-[[3-[2-[[(3S)-piperidin-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135326839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).