N-[(4-propan-2-yloxyphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide

C25H28N4O2 — CID 50847636

IUPACN-[(4-propan-2-yloxyphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
SMILESCC(C)Oc1ccc(CNC(=O)c2cccc(-c3nccnc3N3CCCC3)c2)cc1
InChIInChI=1S/C25H28N4O2/c1-18(2)31-22-10-8-19(9-11-22)17-28-25(30)21-7-5-6-20(16-21)23-24(27-13-12-26-23)29-14-3-4-15-29/h5-13,16,18H,3-4,14-15,17H2,1-2H3,(H,28,30)
InChIKeyFNEMDIODUJXSBQ-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.46
Rot. Bonds7

About N-[(4-propan-2-yloxyphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide

N-[(4-propan-2-yloxyphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide (PubChem CID 50847636) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[(4-propan-2-yloxyphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-[(4-propan-2-yloxyphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
PubChem CID50847636
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[(4-propan-2-yloxyphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
SMILESCC(C)Oc1ccc(CNC(=O)c2cccc(-c3nccnc3N3CCCC3)c2)cc1
InChIInChI=1S/C25H28N4O2/c1-18(2)31-22-10-8-19(9-11-22)17-28-25(30)21-7-5-6-20(16-21)23-24(27-13-12-26-23)29-14-3-4-15-29/h5-13,16,18H,3-4,14-15,17H2,1-2H3,(H,28,30)
InChIKeyFNEMDIODUJXSBQ-UHFFFAOYSA-N
XLogP4.46
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methylphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50847665
3-[3-(dimethylamino)pyrazin-2-yl]-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 50847566
N-[(4-methylsulfanylphenyl)methyl]-4-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 50848410
N-[(4-propan-2-ylphenyl)methyl]-3-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53108749
N-[[4-(dimethylamino)phenyl]methyl]-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
CID 50848231
N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide
CID 43911104
N-[(4-propan-2-ylphenyl)methyl]-3-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53099037
3-(2-ethoxyethoxy)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 43911154
N-[(4-propan-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704146
(3R)-N-methyl-3-[3-[(4-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92891498
[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
CID 50847863
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide
CID 118764258

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide?
The IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide (CID 50847636) is N-[(4-propan-2-yloxyphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide.
What is the SMILES notation for N-[(4-propan-2-yloxyphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide?
The canonical SMILES for N-[(4-propan-2-yloxyphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide is CC(C)Oc1ccc(CNC(=O)c2cccc(-c3nccnc3N3CCCC3)c2)cc1.
What is the InChIKey of N-[(4-propan-2-yloxyphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide?
The InChIKey is FNEMDIODUJXSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-18(2)31-22-10-8-19(9-11-22)17-28-25(30)21-7-5-6-20(16-21)23-24(27-13-12-26-23)29-14-3-4-15-29/h5-13,16,18H,3-4,14-15,17H2,1-2H3,(H,28,30).
What are the key properties of N-[(4-propan-2-yloxyphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide?
N-[(4-propan-2-yloxyphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide has a molecular weight of 416.53 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-yloxyphenyl)methyl]-3-(3-pyrrolidin-1-ylpyrazin-2-yl)benzamide is sourced from PubChem (CID 50847636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).