N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-hydroxycyclopropane-1-carboxamide

C22H28N4O3 — CID 163276994

IUPACN-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-hydroxycyclopropane-1-carboxamide
SMILESCc1ncnc(C)c1-c1cc(NC(=O)C2(O)CC2)ccc1OC[C@H]1CCCCN1
InChIInChI=1S/C22H28N4O3/c1-14-20(15(2)25-13-24-14)18-11-16(26-21(27)22(28)8-9-22)6-7-19(18)29-12-17-5-3-4-10-23-17/h6-7,11,13,17,23,28H,3-5,8-10,12H2,1-2H3,(H,26,27)/t17-/m1/s1
InChIKeyLGQOWXPNIXDSNE-QGZVFWFLSA-N
MW396.49 g/mol
LogP2.74
Rot. Bonds6

About N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-hydroxycyclopropane-1-carboxamide

N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-hydroxycyclopropane-1-carboxamide (PubChem CID 163276994) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-hydroxycyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-hydroxycyclopropane-1-carboxamide
PubChem CID163276994
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-hydroxycyclopropane-1-carboxamide
SMILESCc1ncnc(C)c1-c1cc(NC(=O)C2(O)CC2)ccc1OC[C@H]1CCCCN1
InChIInChI=1S/C22H28N4O3/c1-14-20(15(2)25-13-24-14)18-11-16(26-21(27)22(28)8-9-22)6-7-19(18)29-12-17-5-3-4-10-23-17/h6-7,11,13,17,23,28H,3-5,8-10,12H2,1-2H3,(H,26,27)/t17-/m1/s1
InChIKeyLGQOWXPNIXDSNE-QGZVFWFLSA-N
XLogP2.74
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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-[[(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]-2-fluoropentanamide
CID 176870041
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
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-(pyrrolidin-2-ylmethoxy)-4-(trifluoromethyl)phenyl]acetamide
CID 69016004
4-(azepan-2-ylmethoxy)-3-methylphenol
CID 84698847
N-(3,4-dimethoxyphenyl)-2-piperidin-2-ylacetamide
CID 43151267

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-hydroxycyclopropane-1-carboxamide?
The IUPAC name of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-hydroxycyclopropane-1-carboxamide (CID 163276994) is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-hydroxycyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-hydroxycyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-hydroxycyclopropane-1-carboxamide is Cc1ncnc(C)c1-c1cc(NC(=O)C2(O)CC2)ccc1OC[C@H]1CCCCN1.
What is the InChIKey of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-hydroxycyclopropane-1-carboxamide?
The InChIKey is LGQOWXPNIXDSNE-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-14-20(15(2)25-13-24-14)18-11-16(26-21(27)22(28)8-9-22)6-7-19(18)29-12-17-5-3-4-10-23-17/h6-7,11,13,17,23,28H,3-5,8-10,12H2,1-2H3,(H,26,27)/t17-/m1/s1.
What are the key properties of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-hydroxycyclopropane-1-carboxamide?
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-hydroxycyclopropane-1-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 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]-1-hydroxycyclopropane-1-carboxamide is sourced from PubChem (CID 163276994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).