N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]-2-methylpyridine-3-carboxamide

C24H31N3O4 — CID 110157740

IUPACN-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]-2-methylpyridine-3-carboxamide
SMILESCOC1CCN([C@@H]2[C@@H](O)[C@H](Oc3ccccc3)C[C@H]2NC(=O)c2cccnc2C)CC1
InChIInChI=1S/C24H31N3O4/c1-16-19(9-6-12-25-16)24(29)26-20-15-21(31-18-7-4-3-5-8-18)23(28)22(20)27-13-10-17(30-2)11-14-27/h3-9,12,17,20-23,28H,10-11,13-15H2,1-2H3,(H,26,29)/t20-,21-,22+,23+/m1/s1
InChIKeyDWXQZFBDGRHREU-LUKWVAJMSA-N
MW425.53 g/mol
LogP2.18
Rot. Bonds6

About N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]-2-methylpyridine-3-carboxamide

N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]-2-methylpyridine-3-carboxamide (PubChem CID 110157740) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]-2-methylpyridine-3-carboxamide
PubChem CID110157740
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC NameN-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]-2-methylpyridine-3-carboxamide
SMILESCOC1CCN([C@@H]2[C@@H](O)[C@H](Oc3ccccc3)C[C@H]2NC(=O)c2cccnc2C)CC1
InChIInChI=1S/C24H31N3O4/c1-16-19(9-6-12-25-16)24(29)26-20-15-21(31-18-7-4-3-5-8-18)23(28)22(20)27-13-10-17(30-2)11-14-27/h3-9,12,17,20-23,28H,10-11,13-15H2,1-2H3,(H,26,29)/t20-,21-,22+,23+/m1/s1
InChIKeyDWXQZFBDGRHREU-LUKWVAJMSA-N
XLogP2.18
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]-2-methylpyridine-3-carboxamide (CID 110157740) is N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]-2-methylpyridine-3-carboxamide is COC1CCN([C@@H]2[C@@H](O)[C@H](Oc3ccccc3)C[C@H]2NC(=O)c2cccnc2C)CC1.
What is the InChIKey of N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]-2-methylpyridine-3-carboxamide?
The InChIKey is DWXQZFBDGRHREU-LUKWVAJMSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-16-19(9-6-12-25-16)24(29)26-20-15-21(31-18-7-4-3-5-8-18)23(28)22(20)27-13-10-17(30-2)11-14-27/h3-9,12,17,20-23,28H,10-11,13-15H2,1-2H3,(H,26,29)/t20-,21-,22+,23+/m1/s1.
What are the key properties of N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]-2-methylpyridine-3-carboxamide?
N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]-2-methylpyridine-3-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,3R,4R)-3-hydroxy-2-(4-methoxypiperidin-1-yl)-4-phenoxycyclopentyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 110157740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).