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

C24H29N5O2 — CID 163276974

IUPACN-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-methylpyrrole-2-carboxamide
SMILESCc1ncnc(C)c1-c1cc(NC(=O)c2cccn2C)ccc1OC[C@H]1CCCCN1
InChIInChI=1S/C24H29N5O2/c1-16-23(17(2)27-15-26-16)20-13-18(28-24(30)21-8-6-12-29(21)3)9-10-22(20)31-14-19-7-4-5-11-25-19/h6,8-10,12-13,15,19,25H,4-5,7,11,14H2,1-3H3,(H,28,30)/t19-/m1/s1
InChIKeyNSWJGBXLOFWROT-LJQANCHMSA-N
MW419.53 g/mol
LogP3.87
Rot. Bonds6

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

N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 163276974) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID163276974
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-methylpyrrole-2-carboxamide
SMILESCc1ncnc(C)c1-c1cc(NC(=O)c2cccn2C)ccc1OC[C@H]1CCCCN1
InChIInChI=1S/C24H29N5O2/c1-16-23(17(2)27-15-26-16)20-13-18(28-24(30)21-8-6-12-29(21)3)9-10-22(20)31-14-19-7-4-5-11-25-19/h6,8-10,12-13,15,19,25H,4-5,7,11,14H2,1-3H3,(H,28,30)/t19-/m1/s1
InChIKeyNSWJGBXLOFWROT-LJQANCHMSA-N
XLogP3.87
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-methylpyrrole-2-carboxamide (CID 163276974) is N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-methylpyrrole-2-carboxamide is Cc1ncnc(C)c1-c1cc(NC(=O)c2cccn2C)ccc1OC[C@H]1CCCCN1.
What is the InChIKey of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is NSWJGBXLOFWROT-LJQANCHMSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16-23(17(2)27-15-26-16)20-13-18(28-24(30)21-8-6-12-29(21)3)9-10-22(20)31-14-19-7-4-5-11-25-19/h6,8-10,12-13,15,19,25H,4-5,7,11,14H2,1-3H3,(H,28,30)/t19-/m1/s1.
What are the key properties of N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-methylpyrrole-2-carboxamide?
N-[3-(4,6-dimethylpyrimidin-5-yl)-4-[[(2R)-piperidin-2-yl]methoxy]phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 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-methylpyrrole-2-carboxamide is sourced from PubChem (CID 163276974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).