4-(2-pyrrolidin-1-ylpyrimidin-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C25H26N4O — CID 95086250

IUPAC4-(2-pyrrolidin-1-ylpyrimidin-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)c1ccc(-c2cnc(N3CCCC3)nc2)cc1
InChIInChI=1S/C25H26N4O/c30-24(28-23-9-5-7-19-6-1-2-8-22(19)23)20-12-10-18(11-13-20)21-16-26-25(27-17-21)29-14-3-4-15-29/h1-2,6,8,10-13,16-17,23H,3-5,7,9,14-15H2,(H,28,30)/t23-/m1/s1
InChIKeyLQQLHBWITNZDOA-HSZRJFAPSA-N
MW398.51 g/mol
LogP4.55
Rot. Bonds4

About 4-(2-pyrrolidin-1-ylpyrimidin-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

4-(2-pyrrolidin-1-ylpyrimidin-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 95086250) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-(2-pyrrolidin-1-ylpyrimidin-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name4-(2-pyrrolidin-1-ylpyrimidin-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID95086250
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name4-(2-pyrrolidin-1-ylpyrimidin-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)c1ccc(-c2cnc(N3CCCC3)nc2)cc1
InChIInChI=1S/C25H26N4O/c30-24(28-23-9-5-7-19-6-1-2-8-22(19)23)20-12-10-18(11-13-20)21-16-26-25(27-17-21)29-14-3-4-15-29/h1-2,6,8,10-13,16-17,23H,3-5,7,9,14-15H2,(H,28,30)/t23-/m1/s1
InChIKeyLQQLHBWITNZDOA-HSZRJFAPSA-N
XLogP4.55
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-piperidin-1-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92679213
4-piperidin-1-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 92679214
N-cyclohexyl-4-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53108563
1-[5-(3-methylphenyl)pyrimidin-2-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 53010327
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066
6-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 62072949
2-pyridin-4-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrimidine-5-carboxamide
CID 97199538
N-phenyl-4-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108527
4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2683079
6-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 42887665
4-propan-2-yl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2098930

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrolidin-1-ylpyrimidin-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 4-(2-pyrrolidin-1-ylpyrimidin-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 95086250) is 4-(2-pyrrolidin-1-ylpyrimidin-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 4-(2-pyrrolidin-1-ylpyrimidin-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 4-(2-pyrrolidin-1-ylpyrimidin-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is O=C(N[C@@H]1CCCc2ccccc21)c1ccc(-c2cnc(N3CCCC3)nc2)cc1.
What is the InChIKey of 4-(2-pyrrolidin-1-ylpyrimidin-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is LQQLHBWITNZDOA-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H26N4O/c30-24(28-23-9-5-7-19-6-1-2-8-22(19)23)20-12-10-18(11-13-20)21-16-26-25(27-17-21)29-14-3-4-15-29/h1-2,6,8,10-13,16-17,23H,3-5,7,9,14-15H2,(H,28,30)/t23-/m1/s1.
What are the key properties of 4-(2-pyrrolidin-1-ylpyrimidin-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
4-(2-pyrrolidin-1-ylpyrimidin-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 398.51 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrolidin-1-ylpyrimidin-5-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 95086250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).