N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-2-fluoropentanamide

C23H31FN4O2 — CID 176870041

IUPACN-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-2-fluoropentanamide
SMILESCCCC(F)C(=O)Nc1ccc(OC[C@H]2CCCCN2)c(-c2c(C)ncnc2C)c1
InChIInChI=1S/C23H31FN4O2/c1-4-7-20(24)23(29)28-17-9-10-21(30-13-18-8-5-6-11-25-18)19(12-17)22-15(2)26-14-27-16(22)3/h9-10,12,14,18,20,25H,4-8,11,13H2,1-3H3,(H,28,29)/t18-,20?/m1/s1
InChIKeyPHDAZJXCYMSRII-QSVWIEALSA-N
MW414.53 g/mol
LogP4.36
Rot. Bonds8

About N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-2-fluoropentanamide

N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-2-fluoropentanamide (PubChem CID 176870041) has the molecular formula C23H31FN4O2 and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-2-fluoropentanamide.

Molecular Properties

Compound NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-2-fluoropentanamide
PubChem CID176870041
Molecular FormulaC23H31FN4O2
Molecular Weight414.53 g/mol
Exact Mass414.24
IUPAC NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-2-fluoropentanamide
SMILESCCCC(F)C(=O)Nc1ccc(OC[C@H]2CCCCN2)c(-c2c(C)ncnc2C)c1
InChIInChI=1S/C23H31FN4O2/c1-4-7-20(24)23(29)28-17-9-10-21(30-13-18-8-5-6-11-25-18)19(12-17)22-15(2)26-14-27-16(22)3/h9-10,12,14,18,20,25H,4-8,11,13H2,1-3H3,(H,28,29)/t18-,20?/m1/s1
InChIKeyPHDAZJXCYMSRII-QSVWIEALSA-N
XLogP4.36
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-hydroxycyclopropane-1-carboxamide
CID 163276994
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 163276919
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-methylpyrrole-2-carboxamide
CID 163276974
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 163276925
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(piperidin-2-ylmethoxy)phenyl]-1,2-oxazole-4-carboxamide
CID 176870030
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 163277283
N-[4-(azetidin-2-ylmethoxy)-3-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]cyclopropanecarboxamide
CID 163277263
N-[4-(azetidin-3-yloxy)-3-(4,6-dimethylpyrimidin-5-yl)phenyl]cyclopropanecarboxamide
CID 163276867
N-[3-(pyrrolidin-2-ylmethoxy)-4-(trifluoromethyl)phenyl]acetamide
CID 69016004
2-cyclopropyloxy-N-[3-(4,6-dimethylpyrimidin-5-yl)-4-(2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 163276960
piperidin-2-ylmethyl N-(4-methylphenyl)carbamate
CID 79337808
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[2-(2-methoxyethylamino)ethoxy]phenyl]cyclopropanecarboxamide
CID 163277064

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-2-fluoropentanamide?
The IUPAC name of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-2-fluoropentanamide (CID 176870041) is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-2-fluoropentanamide.
What is the SMILES notation for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-2-fluoropentanamide?
The canonical SMILES for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-2-fluoropentanamide is CCCC(F)C(=O)Nc1ccc(OC[C@H]2CCCCN2)c(-c2c(C)ncnc2C)c1.
What is the InChIKey of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-2-fluoropentanamide?
The InChIKey is PHDAZJXCYMSRII-QSVWIEALSA-N. The full InChI is InChI=1S/C23H31FN4O2/c1-4-7-20(24)23(29)28-17-9-10-21(30-13-18-8-5-6-11-25-18)19(12-17)22-15(2)26-14-27-16(22)3/h9-10,12,14,18,20,25H,4-8,11,13H2,1-3H3,(H,28,29)/t18-,20?/m1/s1.
What are the key properties of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-2-fluoropentanamide?
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-2-fluoropentanamide has a molecular weight of 414.53 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-2-fluoropentanamide is sourced from PubChem (CID 176870041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).