4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[[(5R)-2-methyloxazinan-5-yl]amino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one

C27H29ClN4O3 — CID 154064888

About 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[[(5R)-2-methyloxazinan-5-yl]amino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one

4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[[(5R)-2-methyloxazinan-5-yl]amino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one (PubChem CID 154064888) has the molecular formula C27H29ClN4O3 and a molecular weight of 493.01 g/mol. Its IUPAC name is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[[(5R)-2-methyloxazinan-5-yl]amino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one.

Molecular Properties

• Compound Name: 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[[(5R)-2-methyloxazinan-5-yl]amino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one
• PubChem CID: 154064888
• Molecular Formula: C27H29ClN4O3
• Molecular Weight: 493.01 g/mol
• Exact Mass: 492.19
• IUPAC Name: 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[[(5R)-2-methyloxazinan-5-yl]amino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one
• SMILES: CN1CC[C@@H](NCc2ccc3c(c2)CCC(n2ccc(OCc4ccc(Cl)cn4)cc2=O)=C3)CO1
• InChI: InChI=1S/C27H29ClN4O3/c1-31-10-8-24(18-35-31)29-15-19-2-3-21-13-25(7-4-20(21)12-19)32-11-9-26(14-27(32)33)34-17-23-6-5-22(28)16-30-23/h2-3,5-6,9,11-14,16,24,29H,4,7-8,10,15,17-18H2,1H3/t24-/m1/s1
• InChIKey: UCANTFVYZXPNKK-XMMPIXPASA-N
• XLogP: 4.15
• TPSA: 68.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.01
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[[(5R)-2-methyloxazinan-5-yl]amino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one?

The IUPAC name of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[[(5R)-2-methyloxazinan-5-yl]amino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one (CID 154064888) is 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[[(5R)-2-methyloxazinan-5-yl]amino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one.

What is the SMILES notation for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[[(5R)-2-methyloxazinan-5-yl]amino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one?

The canonical SMILES for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[[(5R)-2-methyloxazinan-5-yl]amino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one is CN1CC[C@@H](NCc2ccc3c(c2)CCC(n2ccc(OCc4ccc(Cl)cn4)cc2=O)=C3)CO1.

What is the InChIKey of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[[(5R)-2-methyloxazinan-5-yl]amino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one?

The InChIKey is UCANTFVYZXPNKK-XMMPIXPASA-N. The full InChI is InChI=1S/C27H29ClN4O3/c1-31-10-8-24(18-35-31)29-15-19-2-3-21-13-25(7-4-20(21)12-19)32-11-9-26(14-27(32)33)34-17-23-6-5-22(28)16-30-23/h2-3,5-6,9,11-14,16,24,29H,4,7-8,10,15,17-18H2,1H3/t24-/m1/s1.

What are the key properties of 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[[(5R)-2-methyloxazinan-5-yl]amino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one?

4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[[(5R)-2-methyloxazinan-5-yl]amino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one has a molecular weight of 493.01 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-chloro-2-pyridinyl)methoxy]-1-[6-[[[(5R)-2-methyloxazinan-5-yl]amino]methyl]-3,4-dihydronaphthalen-2-yl]pyridin-2-one is sourced from PubChem (CID 154064888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).